NP-MRD: Showing NP-Card for (3s,6s)-6-(4-aminobutyl)-3-isopropyl-13-(10-methylundecyl)-1,4,7,10-tetraazacyclotrideca-1,4,7,10-tetraene-2,5,8,11-tetrol (NP0217721)

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Record Information

Version

2.0

Created at

2022-09-05 18:09:50 UTC

Updated at

2022-09-05 18:09:50 UTC

NP-MRD ID

NP0217721

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(3s,6s)-6-(4-aminobutyl)-3-isopropyl-13-(10-methylundecyl)-1,4,7,10-tetraazacyclotrideca-1,4,7,10-tetraene-2,5,8,11-tetrol

Description

Rhodopeptin B5 belongs to the class of organic compounds known as hybrid peptides. Hybrid peptides are compounds containing at least two different types of amino acids (alpha, beta, gamma, delta) linked to each other through a peptide bond. (3s,6s)-6-(4-aminobutyl)-3-isopropyl-13-(10-methylundecyl)-1,4,7,10-tetraazacyclotrideca-1,4,7,10-tetraene-2,5,8,11-tetrol was first documented in 2003 (PMID: 12515458). Based on a literature review very few articles have been published on Rhodopeptin B5.

Structure

MOL SDF PDB SMILES InChI


  Mrv1652309052220092D          

 37 37  0  0  1  0            999 V2000
   -7.1808    0.1235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4663    0.5360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4663    1.3610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7518    0.1235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0373    0.5360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3229    0.1235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6084    0.5360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8939    0.1235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1795    0.5360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4650    0.1235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7505    0.5360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0360    0.1235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6784    0.5360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0487    1.0689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3610    1.8325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0732    2.5340    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1838    1.7715    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9209    2.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6845    1.9804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3367    2.4856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7958    1.1630    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5594    0.8506    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2117    1.3558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9753    1.0435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6275    1.5486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3911    1.2363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0434    1.7414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6707    0.0332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4343   -0.2791    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0185   -0.4719    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2548   -0.1596    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3662   -0.9771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7139   -1.4822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1298   -1.2894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6026   -0.6648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2122   -1.3915    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8390   -0.3525    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 17 18  1  4  0  0  0
 18 19  1  0  0  0  0
 19 20  1  4  0  0  0
 19 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  1  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 22 28  1  0  0  0  0
 28 29  1  4  0  0  0
 28 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  6  0  0  0
 32 33  1  0  0  0  0
 32 34  1  0  0  0  0
 31 35  1  0  0  0  0
 35 36  1  0  0  0  0
 35 37  2  0  0  0  0
 37 13  1  4  0  0  0
M  END


  Mrv1652309052220092D          

 37 37  0  0  1  0            999 V2000
   -7.1808    0.1235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4663    0.5360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4663    1.3610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7518    0.1235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0373    0.5360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3229    0.1235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6084    0.5360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8939    0.1235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1795    0.5360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4650    0.1235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7505    0.5360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0360    0.1235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6784    0.5360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0487    1.0689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3610    1.8325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0732    2.5340    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1838    1.7715    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9209    2.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6845    1.9804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3367    2.4856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7958    1.1630    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5594    0.8506    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2117    1.3558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9753    1.0435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6275    1.5486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3911    1.2363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0434    1.7414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6707    0.0332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4343   -0.2791    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0185   -0.4719    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2548   -0.1596    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3662   -0.9771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7139   -1.4822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1298   -1.2894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6026   -0.6648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2122   -1.3915    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8390   -0.3525    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 17 18  1  4  0  0  0
 18 19  1  0  0  0  0
 19 20  1  4  0  0  0
 19 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  1  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 22 28  1  0  0  0  0
 28 29  1  4  0  0  0
 28 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  6  0  0  0
 32 33  1  0  0  0  0
 32 34  1  0  0  0  0
 31 35  1  0  0  0  0
 35 36  1  0  0  0  0
 35 37  2  0  0  0  0
 37 13  1  4  0  0  0
M  END
> <DATABASE_ID>
NP0217721

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(C)CCCCCCCCCC1CC(O)=NCC(O)=N[C@@H](CCCCN)C(O)=N[C@@H](C(C)C)C(O)=N1

> <INCHI_IDENTIFIER>
InChI=1S/C28H53N5O4/c1-20(2)14-10-8-6-5-7-9-11-15-22-18-24(34)30-19-25(35)32-23(16-12-13-17-29)27(36)33-26(21(3)4)28(37)31-22/h20-23,26H,5-19,29H2,1-4H3,(H,30,34)(H,31,37)(H,32,35)(H,33,36)/t22?,23-,26-/m0/s1

> <INCHI_KEY>
CQVSTNLAGJAEKO-RGXIATLPSA-N

> <FORMULA>
C28H53N5O4

> <MOLECULAR_WEIGHT>
523.763

> <EXACT_MASS>
523.409755207

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_ATOM_COUNT>
90

> <JCHEM_AVERAGE_POLARIZABILITY>
63.202983489704266

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(3S,6S)-6-(4-aminobutyl)-13-(10-methylundecyl)-3-(propan-2-yl)-1,4,7,10-tetraazacyclotrideca-1,4,7,10-tetraene-2,5,8,11-tetrol

> <JCHEM_LOGP>
-3.643354463789867

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA>
-6.265458843393472

> <JCHEM_PKA_STRONGEST_ACIDIC>
-9.212479254647157

> <JCHEM_PKA_STRONGEST_BASIC>
15.281608981633271

> <JCHEM_POLAR_SURFACE_AREA>
156.38

> <JCHEM_REFRACTIVITY>
148.1962

> <JCHEM_ROTATABLE_BOND_COUNT>
15

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(3S,6S)-6-(4-aminobutyl)-3-isopropyl-13-(10-methylundecyl)-1,4,7,10-tetraazacyclotrideca-1,4,7,10-tetraene-2,5,8,11-tetrol

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 05-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   05-SEP-22         0                                  
HETATM    1  C   UNK     0     -13.404   0.230   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0     -12.070   1.000   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0     -12.070   2.540   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0     -10.737   0.230   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -9.403   1.000   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -8.069   0.230   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -6.736   1.000   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -5.402   0.230   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -4.068   1.000   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -2.735   0.230   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -1.401   1.000   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -0.067   0.230   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       1.266   1.000   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       0.091   1.995   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       0.674   3.421   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0      -0.137   4.730   0.000  0.00  0.00           O+0
HETATM   17  N   UNK     0       2.210   3.307   0.000  0.00  0.00           N+0
HETATM   18  C   UNK     0       3.586   4.280   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       5.011   3.697   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0       6.229   4.640   0.000  0.00  0.00           O+0
HETATM   21  N   UNK     0       5.219   2.171   0.000  0.00  0.00           N+0
HETATM   22  C   UNK     0       6.644   1.588   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       7.862   2.531   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       9.287   1.948   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      10.505   2.891   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      11.930   2.308   0.000  0.00  0.00           C+0
HETATM   27  N   UNK     0      13.148   3.251   0.000  0.00  0.00           N+0
HETATM   28  C   UNK     0       6.852   0.062   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0       8.277  -0.521   0.000  0.00  0.00           O+0
HETATM   30  N   UNK     0       5.634  -0.881   0.000  0.00  0.00           N+0
HETATM   31  C   UNK     0       4.209  -0.298   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       4.417  -1.824   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       3.199  -2.767   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       5.842  -2.407   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       2.991  -1.241   0.000  0.00  0.00           C+0
HETATM   36  O   UNK     0       2.263  -2.598   0.000  0.00  0.00           O+0
HETATM   37  N   UNK     0       1.566  -0.658   0.000  0.00  0.00           N+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14   37                                                  
CONECT   14   13   15                                                       
CONECT   15   14   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19   22                                                       
CONECT   22   21   23   28                                                  
CONECT   23   22   24                                                       
CONECT   24   23   25                                                       
CONECT   25   24   26                                                       
CONECT   26   25   27                                                       
CONECT   27   26                                                            
CONECT   28   22   29   30                                                  
CONECT   29   28                                                            
CONECT   30   28   31                                                       
CONECT   31   30   32   35                                                  
CONECT   32   31   33   34                                                  
CONECT   33   32                                                            
CONECT   34   32                                                            
CONECT   35   31   36   37                                                  
CONECT   36   35                                                            
CONECT   37   35   13                                                       
MASTER        0    0    0    0    0    0    0    0   37    0   74    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₈H₅₃N₅O₄

Average Mass

523.7630 Da

Monoisotopic Mass

523.40976 Da

IUPAC Name

(3S,6S)-6-(4-aminobutyl)-13-(10-methylundecyl)-3-(propan-2-yl)-1,4,7,10-tetraazacyclotrideca-1,4,7,10-tetraene-2,5,8,11-tetrol

Traditional Name

(3S,6S)-6-(4-aminobutyl)-3-isopropyl-13-(10-methylundecyl)-1,4,7,10-tetraazacyclotrideca-1,4,7,10-tetraene-2,5,8,11-tetrol

CAS Registry Number

Not Available

SMILES

CC(C)CCCCCCCCCC1CC(O)=NCC(O)=N[C@@H](CCCCN)C(O)=N[C@@H](C(C)C)C(O)=N1

InChI Identifier

InChI=1S/C28H53N5O4/c1-20(2)14-10-8-6-5-7-9-11-15-22-18-24(34)30-19-25(35)32-23(16-12-13-17-29)27(36)33-26(21(3)4)28(37)31-22/h20-23,26H,5-19,29H2,1-4H3,(H,30,34)(H,31,37)(H,32,35)(H,33,36)/t22?,23-,26-/m0/s1

InChI Key

CQVSTNLAGJAEKO-RGXIATLPSA-N

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Not Available

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as hybrid peptides. Hybrid peptides are compounds containing at least two different types of amino acids (alpha, beta, gamma, delta) linked to each other through a peptide bond.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Peptidomimetics

Sub Class

Hybrid peptides

Direct Parent

Hybrid peptides

Alternative Parents

Substituents

Cyclic hybrid peptide
Alpha-oligopeptide
Macrolactam
Beta amino acid or derivatives
Alpha-amino acid or derivatives
Amino acid or derivatives
Carboxamide group
Secondary carboxylic acid amide
Lactam
Carboxylic acid derivative
Azacycle
Organoheterocyclic compound
Organic nitrogen compound
Primary aliphatic amine
Organonitrogen compound
Organooxygen compound
Primary amine
Hydrocarbon derivative
Organic oxide
Carbonyl group
Organopnictogen compound
Organic oxygen compound
Amine
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

Not Available

Physical Properties

State

Not Available

Experimental Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Predicted Properties

Property	Value	Source
logP	-3.6	ChemAxon
pKa (Strongest Acidic)	-9.2	ChemAxon
pKa (Strongest Basic)	15.28	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	9	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	156.38 Å²	ChemAxon
Rotatable Bond Count	15	ChemAxon
Refractivity	148.2 m³·mol⁻¹	ChemAxon
Polarizability	63.2 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

425258

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

484989

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Durham TB, Miller MJ: An enantioselective synthesis of differentially protected erythro-alpha,beta-diamino acids and its application to the synthesis of an analogue of rhodopeptin B5. J Org Chem. 2003 Jan 10;68(1):35-42. doi: 10.1021/jo016276m. [PubMed:12515458 ]
LOTUS database [Link]

Showing NP-Card for (3s,6s)-6-(4-aminobutyl)-3-isopropyl-13-(10-methylundecyl)-1,4,7,10-tetraazacyclotrideca-1,4,7,10-tetraene-2,5,8,11-tetrol (NP0217721)

MOL for NP0217721 ((3s,6s)-6-(4-aminobutyl)-3-isopropyl-13-(10-methylundecyl)-1,4,7,10-tetraazacyclotrideca-1,4,7,10-tetraene-2,5,8,11-tetrol)

3D MOL for NP0217721 ((3s,6s)-6-(4-aminobutyl)-3-isopropyl-13-(10-methylundecyl)-1,4,7,10-tetraazacyclotrideca-1,4,7,10-tetraene-2,5,8,11-tetrol)

3D SDF for NP0217721 ((3s,6s)-6-(4-aminobutyl)-3-isopropyl-13-(10-methylundecyl)-1,4,7,10-tetraazacyclotrideca-1,4,7,10-tetraene-2,5,8,11-tetrol)

3D-SDF for NP0217721 ((3s,6s)-6-(4-aminobutyl)-3-isopropyl-13-(10-methylundecyl)-1,4,7,10-tetraazacyclotrideca-1,4,7,10-tetraene-2,5,8,11-tetrol)

PDB for NP0217721 ((3s,6s)-6-(4-aminobutyl)-3-isopropyl-13-(10-methylundecyl)-1,4,7,10-tetraazacyclotrideca-1,4,7,10-tetraene-2,5,8,11-tetrol)

3D PDB for NP0217721 ((3s,6s)-6-(4-aminobutyl)-3-isopropyl-13-(10-methylundecyl)-1,4,7,10-tetraazacyclotrideca-1,4,7,10-tetraene-2,5,8,11-tetrol)

SMILES for NP0217721 ((3s,6s)-6-(4-aminobutyl)-3-isopropyl-13-(10-methylundecyl)-1,4,7,10-tetraazacyclotrideca-1,4,7,10-tetraene-2,5,8,11-tetrol)

INCHI for NP0217721 ((3s,6s)-6-(4-aminobutyl)-3-isopropyl-13-(10-methylundecyl)-1,4,7,10-tetraazacyclotrideca-1,4,7,10-tetraene-2,5,8,11-tetrol)

Structure for NP0217721 ((3s,6s)-6-(4-aminobutyl)-3-isopropyl-13-(10-methylundecyl)-1,4,7,10-tetraazacyclotrideca-1,4,7,10-tetraene-2,5,8,11-tetrol)

3D Structure for NP0217721 ((3s,6s)-6-(4-aminobutyl)-3-isopropyl-13-(10-methylundecyl)-1,4,7,10-tetraazacyclotrideca-1,4,7,10-tetraene-2,5,8,11-tetrol)