4-azanyl-2-[(2-azanyl-3-phenyl-propanoyl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-azanyl-2-[(2-azanyl-3-phenyl-propanoyl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-amino-2-[(2-amino-3-phenyl-propanoyl)amino]-4-oxo-butanoic acid CAS Name: 4-amino-2-[(2-amino-1-oxo-3-phenylpropyl)amino]-4-oxobutanoic acid IUPAC Name: 4-amino-2-[(2-amino-3-phenylpropanoyl)amino]-4-oxobutanoic acid Traditional Name: 4-amino-4-keto-2-(phenylalanylamino)butyric acid Formula: C13H17N3O4 MolecularWeight: 279.29178

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)NC(CC(=O)N)C(=O)O)N

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)NC(CC(=O)N)C(=O)O)N

InChI

InChI=1S/C13H17N3O4/c14-9(6-8-4-2-1-3-5-8)12(18)16-10(13(19)20)7-11(15)17/h1-5,9-10H,6-7,14H2,(H2,15,17)(H,16,18)(H,19,20)