NP-MRD: Showing NP-Card for (2s)-2-{[(2s)-2-amino-1-hydroxypropylidene]amino}-3-(1h-indol-3-yl)propanoic acid (NP0145112)

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Record Information

Version

2.0

Created at

2022-09-02 00:14:36 UTC

Updated at

2022-09-02 00:14:36 UTC

NP-MRD ID

NP0145112

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(2s)-2-{[(2s)-2-amino-1-hydroxypropylidene]amino}-3-(1h-indol-3-yl)propanoic acid

Description

Alanyltryptophan, also known as AW or L-ala-L-TRP, belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Alanyltryptophan is a very strong basic compound (based on its pKa). (2s)-2-{[(2s)-2-amino-1-hydroxypropylidene]amino}-3-(1h-indol-3-yl)propanoic acid is found in Streptomyces sparsus. (2s)-2-{[(2s)-2-amino-1-hydroxypropylidene]amino}-3-(1h-indol-3-yl)propanoic acid was first documented in 1978 (PMID: 16592569). It is an incomplete breakdown product of protein digestion or protein catabolism (PMID: 11466771) (PMID: 20503925) (PMID: 18225873).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 37 38  0  0  0  0  0  0  0  0999 V2000
    2.8033    2.1614    0.6298 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1780    0.7590    0.1781 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4965    0.8242   -1.2358 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0844   -0.2062    0.3616 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6681   -0.4024    1.5310 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5052   -0.9004   -0.7164 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4396   -1.8369   -0.5079 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7738   -1.4751   -1.3040 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3292   -0.1410   -0.9736 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2048    1.0076   -1.7161 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8611    1.9687   -1.0423 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3907    1.4785    0.0862 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1441    2.0177    1.1191 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5561    1.2378    2.1801 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2435   -0.1031    2.2673 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4917   -0.6420    1.2369 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0784    0.1374    0.1738 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8563   -3.2055   -0.9224 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0133   -3.3955   -1.3772 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0263   -4.3117   -0.8357 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7561    2.7181    0.7403 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2026    2.1556    1.5624 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1583    2.6047   -0.1595 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0774    0.4620    0.7802 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9917   -0.0685   -1.5279 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1239    1.6498   -1.3919 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8595   -0.7282   -1.6835 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1922   -1.8850    0.5565 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5720   -2.2362   -1.1885 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5046   -1.4789   -2.3793 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6672    1.0818   -2.6656 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9554    2.9671   -1.3429 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3829    3.0786    1.0356 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1521    1.7112    2.9745 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5736   -0.7062    3.1080 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2214   -1.6885    1.2596 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3302   -4.6101    0.0420 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 17  2  0
 17 16  1  0
 16 15  2  0
 15 14  1  0
 14 13  2  0
  7 18  1  0
 18 20  1  0
 18 19  2  0
 17  9  1  0
 13 12  1  0
  1 21  1  0
  1 22  1  0
  1 23  1  0
  2 24  1  1
  3 25  1  0
  3 26  1  0
  6 27  1  0
  7 28  1  1
  8 29  1  0
  8 30  1  0
 10 31  1  0
 11 32  1  0
 16 36  1  0
 15 35  1  0
 14 34  1  0
 13 33  1  0
 20 37  1  0
M  END


  Mrv1652303102016502D          

 20 21  0  0  0  0            999 V2000
 2497.4038 2495.3583    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
 2497.4038 2496.1820    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 2498.1151 2496.5948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2498.8285 2496.1820    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 2498.1151 2497.4184    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
 2497.4019 2497.8295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2498.8285 2497.8295    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 2498.1172 2494.9473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2498.8305 2495.3583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 2498.1172 2494.1236    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 2493.8616 2495.4653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2493.6067 2494.6807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2494.1588 2494.0675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2494.9658 2494.2389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2495.2209 2495.0237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2494.6687 2495.6369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2495.9745 2495.3591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2495.8884 2496.1797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2495.0814 2496.3513    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 2496.6890 2494.9465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  6  0  0  0
  1  8  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  5  3  1  6  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
 17 18  2  0  0  0  0
 15 17  1  0  0  0  0
 18 19  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 20  1  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0145112

> <DATABASE_NAME>
NP-MRD

> <SMILES>
C[C@H](N)C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C14H17N3O3/c1-8(15)13(18)17-12(14(19)20)6-9-7-16-11-5-3-2-4-10(9)11/h2-5,7-8,12,16H,6,15H2,1H3,(H,17,18)(H,19,20)/t8-,12-/m0/s1

> <INCHI_KEY>
WUGMRIBZSVSJNP-UFBFGSQYSA-N

> <FORMULA>
C14H17N3O3

> <MOLECULAR_WEIGHT>
275.308

> <EXACT_MASS>
275.126991419

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
37

> <JCHEM_AVERAGE_POLARIZABILITY>
27.574296921027496

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S)-2-[(2S)-2-aminopropanamido]-3-(1H-indol-3-yl)propanoic acid

> <ALOGPS_LOGP>
-1.01

> <JCHEM_LOGP>
-1.6246585437574679

> <ALOGPS_LOGS>
-2.49

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.660641155359905

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.866377842887786

> <JCHEM_PKA_STRONGEST_BASIC>
8.388628065902855

> <JCHEM_POLAR_SURFACE_AREA>
108.21000000000001

> <JCHEM_REFRACTIVITY>
73.5002

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
8.92e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2S)-2-[(2S)-2-aminopropanamido]-3-(1H-indol-3-yl)propanoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 10-MAR-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   10-MAR-20         0                                  
HETATM    1  C   UNK     0    4661.8204658.002   0.000  0.00  0.00           C+0
HETATM    2  N   UNK     0    4661.8204659.540   0.000  0.00  0.00           N+0
HETATM    3  C   UNK     0    4663.1484660.310   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0    4664.4804659.540   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0    4663.1484661.848   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0    4661.8174662.615   0.000  0.00  0.00           C+0
HETATM    7  N   UNK     0    4664.4804662.615   0.000  0.00  0.00           N+0
HETATM    8  C   UNK     0    4663.1524657.235   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0    4664.4844658.002   0.000  0.00  0.00           O+0
HETATM   10  O   UNK     0    4663.1524655.697   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0    4655.2084658.202   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0    4654.7334656.737   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0    4655.7634655.593   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0    4657.2694655.913   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0    4657.7464657.378   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0    4656.7154658.522   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0    4659.1524658.004   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0    4658.9924659.535   0.000  0.00  0.00           C+0
HETATM   19  N   UNK     0    4657.4854659.856   0.000  0.00  0.00           N+0
HETATM   20  C   UNK     0    4660.4864657.233   0.000  0.00  0.00           C+0
CONECT    1    2    8   20                                                  
CONECT    2    1    3                                                       
CONECT    3    2    4    5                                                  
CONECT    4    3                                                            
CONECT    5    3    6    7                                                  
CONECT    6    5                                                            
CONECT    7    5                                                            
CONECT    8    1    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8                                                            
CONECT   11   12   16                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16   17                                                  
CONECT   16   15   11   19                                                  
CONECT   17   18   15   20                                                  
CONECT   18   17   19                                                       
CONECT   19   18   16                                                       
CONECT   20   17    1                                                       
MASTER        0    0    0    0    0    0    0    0   20    0   42    0
END

View in JSmol

Synonyms

Value	Source
AW	ChEBI
L-Ala-L-TRP	ChEBI
N-L-Alanyl-L-tryptophan	ChEBI
a-W Dipeptide	HMDB
AW dipeptide	HMDB
Ala-TRP	HMDB
Alanine tryptophan dipeptide	HMDB
Alanine-tryptophan dipeptide	HMDB
Alanyl-tryptophan	HMDB
L-Alanyl-L-tryptophan	HMDB
N-Alanyltryptophan	HMDB
NSC 97948	HMDB
Alanyltryptophan	ChEBI

Chemical Formula

C₁₄H₁₇N₃O₃

Average Mass

275.3080 Da

Monoisotopic Mass

275.12699 Da

IUPAC Name

(2S)-2-[(2S)-2-aminopropanamido]-3-(1H-indol-3-yl)propanoic acid

Traditional Name

(2S)-2-[(2S)-2-aminopropanamido]-3-(1H-indol-3-yl)propanoic acid

CAS Registry Number

Not Available

SMILES

C[C@H](N)C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(O)=O

InChI Identifier

InChI=1S/C14H17N3O3/c1-8(15)13(18)17-12(14(19)20)6-9-7-16-11-5-3-2-4-10(9)11/h2-5,7-8,12,16H,6,15H2,1H3,(H,17,18)(H,19,20)/t8-,12-/m0/s1

InChI Key

WUGMRIBZSVSJNP-UFBFGSQYSA-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 sparsus	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Dipeptides

Alternative Parents

Substituents

Alpha-dipeptide
N-acyl-alpha-amino acid
N-acyl-l-alpha-amino acid
N-acyl-alpha amino acid or derivatives
Alpha-amino acid amide
Indolyl carboxylic acid derivative
Alanine or derivatives
Alpha-amino acid or derivatives
3-alkylindole
Indole
Indole or derivatives
Substituted pyrrole
Benzenoid
Heteroaromatic compound
Pyrrole
Secondary carboxylic acid amide
Amino acid or derivatives
Carboxamide group
Amino acid
Organoheterocyclic compound
Azacycle
Carboxylic acid
Monocarboxylic acid or derivatives
Organic oxygen compound
Primary aliphatic amine
Hydrocarbon derivative
Organic oxide
Organopnictogen compound
Organic nitrogen compound
Organonitrogen compound
Carbonyl group
Organooxygen compound
Amine
Primary amine
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

dipeptide (CHEBI:73808 )

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	ALOGPS
logP	-1.6	ChemAxon
logS	-2.5	ALOGPS
pKa (Strongest Acidic)	3.87	ChemAxon
pKa (Strongest Basic)	8.39	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	108.21 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	73.5 m³·mol⁻¹	ChemAxon
Polarizability	27.57 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

HMDB0013209

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

85362

PDB ID

Not Available

ChEBI ID

73808

Good Scents ID

Not Available

References

General References

Kano K, Hasegawa H, Miyamura M: Chiral recognition of dipeptide methyl esters by an anionic beta-cyclodextrin. Chirality. 2001 Aug;13(8):474-82. doi: 10.1002/chir.1064. [PubMed:11466771 ]
Fleming GR, Morris JM, Robbins RJ, Woolfe GJ, Thistlethwaite PJ, Robinson GW: Nonexponential fluorescence decay of aqueous tryptophan and two related peptides by picosecond spectroscopy. Proc Natl Acad Sci U S A. 1978 Oct;75(10):4652-6. doi: 10.1073/pnas.75.10.4652. [PubMed:16592569 ]
Schroder S, Surmann P: Photoallergenic potential testing by online irradiation and HPLC. Pharmazie. 2010 May;65(5):339-42. [PubMed:20503925 ]
Fujihara A, Matsumoto H, Shibata Y, Ishikawa H, Fuke K: Photodissociation and spectroscopic study of cold protonated dipeptides. J Phys Chem A. 2008 Feb 21;112(7):1457-63. doi: 10.1021/jp709614e. Epub 2008 Jan 29. [PubMed:18225873 ]
LOTUS database [Link]

Showing NP-Card for (2s)-2-{[(2s)-2-amino-1-hydroxypropylidene]amino}-3-(1h-indol-3-yl)propanoic acid (NP0145112)

MOL for NP0145112 ((2s)-2-{[(2s)-2-amino-1-hydroxypropylidene]amino}-3-(1h-indol-3-yl)propanoic acid)

3D MOL for NP0145112 ((2s)-2-{[(2s)-2-amino-1-hydroxypropylidene]amino}-3-(1h-indol-3-yl)propanoic acid)

3D SDF for NP0145112 ((2s)-2-{[(2s)-2-amino-1-hydroxypropylidene]amino}-3-(1h-indol-3-yl)propanoic acid)

3D-SDF for NP0145112 ((2s)-2-{[(2s)-2-amino-1-hydroxypropylidene]amino}-3-(1h-indol-3-yl)propanoic acid)

PDB for NP0145112 ((2s)-2-{[(2s)-2-amino-1-hydroxypropylidene]amino}-3-(1h-indol-3-yl)propanoic acid)

3D PDB for NP0145112 ((2s)-2-{[(2s)-2-amino-1-hydroxypropylidene]amino}-3-(1h-indol-3-yl)propanoic acid)

SMILES for NP0145112 ((2s)-2-{[(2s)-2-amino-1-hydroxypropylidene]amino}-3-(1h-indol-3-yl)propanoic acid)

INCHI for NP0145112 ((2s)-2-{[(2s)-2-amino-1-hydroxypropylidene]amino}-3-(1h-indol-3-yl)propanoic acid)

Structure for NP0145112 ((2s)-2-{[(2s)-2-amino-1-hydroxypropylidene]amino}-3-(1h-indol-3-yl)propanoic acid)

3D Structure for NP0145112 ((2s)-2-{[(2s)-2-amino-1-hydroxypropylidene]amino}-3-(1h-indol-3-yl)propanoic acid)