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

Systemtic Name: 3-azanyl-4-[(2-azanyl-3-phenyl-propanoyl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 3-amino-4-[(2-amino-3-phenyl-propanoyl)amino]-4-oxo-butanoic acid CAS Name: 3-amino-4-[(2-amino-1-oxo-3-phenylpropyl)amino]-4-oxobutanoic acid IUPAC Name: 3-amino-4-[(2-amino-3-phenylpropanoyl)amino]-4-oxobutanoic acid Traditional Name: 3-amino-4-keto-4-(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(=O)C(CC(=O)O)N)N

Isomeric SMILES

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

InChI

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