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name Structure Reference Source Properties Activities Metabolism

(2S)-6-amino-2-[(2S)-2-amino-3-phenylpropanamido]hexanoic acid

AlkaPlorer ID: AK025450

Synonym: None

IUPAC Name: (2S)-6-amino-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]hexanoic acid

Structure

SMILES: NCCCC[C@H](N=C(O)[C@@H](N)CC1=CC=CC=C1)C(=O)O

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InChI: InChI=1S/C15H23N3O3/c16-9-5-4-8-13(15(20)21)18-14(19)12(17)10-11-6-2-1-3-7-11/h1-3,6-7,12-13H,4-5,8-10,16-17H2,(H,18,19)(H,20,21)/t12-,13-/m0/s1

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InChIKey: FADYJNXDPBKVCA-STQMWFEESA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Phytolacca americana Phytolacca Phytolaccaceae Caryophyllales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 293.367

TPSA？: 121.93

MolLogP？: 1.0951000000000006

Number of H-Donors: 4

Number of H-Acceptors: 4

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT012448 CSCC[C@H](NC(=O)/C=C/c1ccco1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)O>>NCCCC[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)O enzymemap_75786
AKRT013833 C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)O>>NCCCC[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)O enzymemap_74021
AKRT020043 N[C@@H](Cc1ccccc1)C(=O)O.NCCCC[C@H](N)C(=O)O>>NCCCC[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)O enzymemap_90807