NP-MRD: Showing NP-Card for (2s)-1-[(2s)-1-[(2s)-2-{[(2s,3r)-3-amino-1,2-dihydroxy-4-phenylbutylidene]amino}-4-methylpentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid (NP0273311)

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Record Information

Version

2.0

Created at

2022-09-08 20:18:17 UTC

Updated at

2022-09-08 20:18:17 UTC

NP-MRD ID

NP0273311

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(2s)-1-[(2s)-1-[(2s)-2-{[(2s,3r)-3-amino-1,2-dihydroxy-4-phenylbutylidene]amino}-4-methylpentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid

Description

Probestin 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. (2s)-1-[(2s)-1-[(2s)-2-{[(2s,3r)-3-amino-1,2-dihydroxy-4-phenylbutylidene]amino}-4-methylpentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid is found in Streptomyces azureus. (2s)-1-[(2s)-1-[(2s)-2-{[(2s,3r)-3-amino-1,2-dihydroxy-4-phenylbutylidene]amino}-4-methylpentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid was first documented in 2004 (PMID: 22514807). Based on a literature review a small amount of articles have been published on Probestin (PMID: 24988047) (PMID: 23937983) (PMID: 23664876) (PMID: 22727671).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309082222182D          

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M  END

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  5  6  1  6  0  0  0
  6  7  2  0  0  0  0
  7  8  1  4  0  0  0
  7  9  1  0  0  0  0
  9 10  1  1  0  0  0
  9 11  1  0  0  0  0
 11 12  1  1  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 14 19  1  0  0  0  0
  5 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 22 26  1  0  0  0  0
 26 27  1  1  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 29 33  1  0  0  0  0
 33 34  1  1  0  0  0
 34 35  2  0  0  0  0
 34 36  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0273311

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(C)C[C@H](N=C(O)[C@@H](O)[C@H](N)CC1=CC=CC=C1)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C26H38N4O6/c1-16(2)14-19(28-23(32)22(31)18(27)15-17-8-4-3-5-9-17)24(33)29-12-6-10-20(29)25(34)30-13-7-11-21(30)26(35)36/h3-5,8-9,16,18-22,31H,6-7,10-15,27H2,1-2H3,(H,28,32)(H,35,36)/t18-,19+,20+,21+,22+/m1/s1

> <INCHI_KEY>
CEQMEILRVSCKGT-FXTUREPZSA-N

> <FORMULA>
C26H38N4O6

> <MOLECULAR_WEIGHT>
502.612

> <EXACT_MASS>
502.27913496

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_ATOM_COUNT>
74

> <JCHEM_AVERAGE_POLARIZABILITY>
53.24974468961969

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S)-1-[(2S)-1-[(2S)-2-{[(2S,3R)-3-amino-1,2-dihydroxy-4-phenylbutylidene]amino}-4-methylpentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid

> <JCHEM_LOGP>
-1.142106356152406

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
3.730537066266465

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.1303881440332657

> <JCHEM_PKA_STRONGEST_BASIC>
9.53744922887528

> <JCHEM_POLAR_SURFACE_AREA>
156.76

> <JCHEM_REFRACTIVITY>
132.5445

> <JCHEM_ROTATABLE_BOND_COUNT>
10

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(2S)-1-[(2S)-1-[(2S)-2-{[(2S,3R)-3-amino-1,2-dihydroxy-4-phenylbutylidene]amino}-4-methylpentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 08-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   08-SEP-22         0                                  
HETATM    1  C   UNK     0       2.667  -9.240   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       1.334  -8.470   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       0.000  -9.240   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       1.334  -6.930   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       2.667  -6.160   0.000  0.00  0.00           C+0
HETATM    6  N   UNK     0       2.667  -4.620   0.000  0.00  0.00           N+0
HETATM    7  C   UNK     0       1.334  -3.850   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0       1.334  -2.310   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0       0.000  -4.620   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0       0.000  -6.160   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0      -1.334  -3.850   0.000  0.00  0.00           C+0
HETATM   12  N   UNK     0      -1.334  -2.310   0.000  0.00  0.00           N+0
HETATM   13  C   UNK     0      -2.667  -4.620   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -4.001  -3.850   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -5.335  -4.620   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -6.668  -3.850   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -6.668  -2.310   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -5.335  -1.540   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       4.001  -6.930   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0       4.001  -8.470   0.000  0.00  0.00           O+0
HETATM   22  N   UNK     0       5.335  -6.160   0.000  0.00  0.00           N+0
HETATM   23  C   UNK     0       5.496  -4.628   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       7.002  -4.308   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       7.772  -5.642   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       6.742  -6.786   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       7.062  -8.293   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0       5.917  -9.323   0.000  0.00  0.00           O+0
HETATM   29  N   UNK     0       8.526  -8.769   0.000  0.00  0.00           N+0
HETATM   30  C   UNK     0       9.772  -7.863   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      11.018  -8.769   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      10.542 -10.233   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       9.002 -10.233   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       8.097 -11.479   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0       8.723 -12.886   0.000  0.00  0.00           O+0
HETATM   36  O   UNK     0       6.566 -11.318   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5                                                       
CONECT    5    4    6   20                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11   14                                                       
CONECT   14   13   15   19                                                  
CONECT   15   14   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   14                                                       
CONECT   20    5   21   22                                                  
CONECT   21   20                                                            
CONECT   22   20   23   26                                                  
CONECT   23   22   24                                                       
CONECT   24   23   25                                                       
CONECT   25   24   26                                                       
CONECT   26   25   22   27                                                  
CONECT   27   26   28   29                                                  
CONECT   28   27                                                            
CONECT   29   27   30   33                                                  
CONECT   30   29   31                                                       
CONECT   31   30   32                                                       
CONECT   32   31   33                                                       
CONECT   33   32   29   34                                                  
CONECT   34   33   35   36                                                  
CONECT   35   34                                                            
CONECT   36   34                                                            
MASTER        0    0    0    0    0    0    0    0   36    0   76    0
END

View in JSmol

Synonyms

Value	Source
3-Amino-2-hydroxy-4-phenylbutanoyl-leucyl-prolyl-proline	MeSH

Chemical Formula

C₂₆H₃₈N₄O₆

Average Mass

502.6120 Da

Monoisotopic Mass

502.27913 Da

IUPAC Name

(2S)-1-[(2S)-1-[(2S)-2-{[(2S,3R)-3-amino-1,2-dihydroxy-4-phenylbutylidene]amino}-4-methylpentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid

Traditional Name

(2S)-1-[(2S)-1-[(2S)-2-{[(2S,3R)-3-amino-1,2-dihydroxy-4-phenylbutylidene]amino}-4-methylpentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid

CAS Registry Number

Not Available

SMILES

CC(C)C[C@H](N=C(O)[C@@H](O)[C@H](N)CC1=CC=CC=C1)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(O)=O

InChI Identifier

InChI=1S/C26H38N4O6/c1-16(2)14-19(28-23(32)22(31)18(27)15-17-8-4-3-5-9-17)24(33)29-12-6-10-20(29)25(34)30-13-7-11-21(30)26(35)36/h3-5,8-9,16,18-22,31H,6-7,10-15,27H2,1-2H3,(H,28,32)(H,35,36)/t18-,19+,20+,21+,22+/m1/s1

InChI Key

CEQMEILRVSCKGT-FXTUREPZSA-N

Experimental Spectra

Not Available

Predicted Spectra

Spectrum Type	Description	Depositor ID	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 25 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Streptomyces azureus	LOTUS Database	35616633

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

Hybrid peptide
Leucine or derivatives
N-acyl-alpha-amino acid
Proline or derivatives
N-acyl-alpha amino acid or derivatives
N-acyl-l-alpha-amino acid
Alpha-amino acid amide
Beta amino acid or derivatives
Alpha-amino acid or derivatives
Amphetamine or derivatives
N-acylpyrrolidine
Pyrrolidine carboxylic acid
Pyrrolidine carboxylic acid or derivatives
Pyrrolidine-2-carboxamide
Aralkylamine
N-acyl-amine
Monocyclic benzene moiety
Monosaccharide
Fatty acyl
Fatty amide
Benzenoid
Tertiary carboxylic acid amide
Pyrrolidine
Amino acid
Carboxamide group
Amino acid or derivatives
Secondary alcohol
Secondary carboxylic acid amide
Azacycle
Organoheterocyclic compound
Carboxylic acid derivative
Carboxylic acid
Monocarboxylic acid or derivatives
Amine
Organic oxygen compound
Organic nitrogen compound
Carbonyl group
Alcohol
Hydrocarbon derivative
Organic oxide
Primary amine
Organooxygen compound
Primary aliphatic amine
Organopnictogen compound
Organonitrogen compound
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic 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	-1.1	ChemAxon
pKa (Strongest Acidic)	3.13	ChemAxon
pKa (Strongest Basic)	9.54	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	8	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	156.76 Å²	ChemAxon
Rotatable Bond Count	10	ChemAxon
Refractivity	132.54 m³·mol⁻¹	ChemAxon
Polarizability	53.25 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

C00017572

Chemspider ID

115069

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

130013

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Pathuri G, Madka V, Hedrick AF, Lightfoot SA, Awasthi V, Cowley BD Jr, Rao CV, Gali H: Evaluation of (99m)Tc-probestin SPECT as a novel technique for noninvasive imaging of kidney aminopeptidase N expression. Mol Pharm. 2014 Aug 4;11(8):2948-53. doi: 10.1021/mp5002872. Epub 2014 Jul 10. [PubMed:24988047 ]
Pathuri G, Hedrick AF, Awasthi V, Ihnat MA, Gali H: Evaluation of 99mTc-probestin for imaging APN expressing tumors by SPECT. Bioorg Med Chem Lett. 2013 Sep 15;23(18):5049-52. doi: 10.1016/j.bmcl.2013.07.046. Epub 2013 Jul 29. [PubMed:23937983 ]
Pathuri G, Thorpe JE, Disch BC, Bailey-Downs LC, Ihnat MA, Gali H: Solid phase synthesis and biological evaluation of probestin as an angiogenesis inhibitor. Bioorg Med Chem Lett. 2013 Jun 15;23(12):3561-4. doi: 10.1016/j.bmcl.2013.04.031. Epub 2013 Apr 23. [PubMed:23664876 ]
Pathuri G, Hedrick AF, Disch BC, Ihnat MA, Awasthi V, Gali H: Synthesis and biodistribution studies of technetium-99m-labeled aminopeptidase N inhibitor conjugates. Bioorg Med Chem Lett. 2012 Jul 15;22(14):4567-70. doi: 10.1016/j.bmcl.2012.05.106. Epub 2012 Jun 6. [PubMed:22727671 ]
Leung K: (99m)TcO-N,N-Dimethylglycyl-l-lysinyl-l-cysteinylamide-8-amino-3,6-dioxaoctanoic-probestin.. 2004. [PubMed:22514807 ]
LOTUS database [Link]

Showing NP-Card for (2s)-1-[(2s)-1-[(2s)-2-{[(2s,3r)-3-amino-1,2-dihydroxy-4-phenylbutylidene]amino}-4-methylpentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid (NP0273311)

MOL for NP0273311 ((2s)-1-[(2s)-1-[(2s)-2-{[(2s,3r)-3-amino-1,2-dihydroxy-4-phenylbutylidene]amino}-4-methylpentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid)

3D MOL for NP0273311 ((2s)-1-[(2s)-1-[(2s)-2-{[(2s,3r)-3-amino-1,2-dihydroxy-4-phenylbutylidene]amino}-4-methylpentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid)

3D SDF for NP0273311 ((2s)-1-[(2s)-1-[(2s)-2-{[(2s,3r)-3-amino-1,2-dihydroxy-4-phenylbutylidene]amino}-4-methylpentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid)

3D-SDF for NP0273311 ((2s)-1-[(2s)-1-[(2s)-2-{[(2s,3r)-3-amino-1,2-dihydroxy-4-phenylbutylidene]amino}-4-methylpentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid)

PDB for NP0273311 ((2s)-1-[(2s)-1-[(2s)-2-{[(2s,3r)-3-amino-1,2-dihydroxy-4-phenylbutylidene]amino}-4-methylpentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid)

3D PDB for NP0273311 ((2s)-1-[(2s)-1-[(2s)-2-{[(2s,3r)-3-amino-1,2-dihydroxy-4-phenylbutylidene]amino}-4-methylpentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid)

SMILES for NP0273311 ((2s)-1-[(2s)-1-[(2s)-2-{[(2s,3r)-3-amino-1,2-dihydroxy-4-phenylbutylidene]amino}-4-methylpentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid)

INCHI for NP0273311 ((2s)-1-[(2s)-1-[(2s)-2-{[(2s,3r)-3-amino-1,2-dihydroxy-4-phenylbutylidene]amino}-4-methylpentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid)

Structure for NP0273311 ((2s)-1-[(2s)-1-[(2s)-2-{[(2s,3r)-3-amino-1,2-dihydroxy-4-phenylbutylidene]amino}-4-methylpentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid)

3D Structure for NP0273311 ((2s)-1-[(2s)-1-[(2s)-2-{[(2s,3r)-3-amino-1,2-dihydroxy-4-phenylbutylidene]amino}-4-methylpentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid)