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

Systemtic Name: 3-[(2-azanyl-3-phenyl-propanoyl)amino]-4-[[2-(carboxymethylamino)-2-oxidanylidene-ethyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 3-[(2-amino-3-phenyl-propanoyl)amino]-4-[[2-(carboxymethylamino)-2-oxo-ethyl]amino]-4-oxo-butanoic acid CAS Name: 3-[(2-amino-1-oxo-3-phenylpropyl)amino]-4-[[2-(carboxymethylamino)-2-oxoethyl]amino]-4-oxobutanoic acid IUPAC Name: 3-[(2-amino-3-phenylpropanoyl)amino]-4-[[2-(carboxymethylamino)-2-oxoethyl]amino]-4-oxobutanoic acid Traditional Name: 4-[[2-(carboxymethylamino)-2-keto-ethyl]amino]-4-keto-3-(phenylalanylamino)butyric acid Formula: C17H22N4O7 MolecularWeight: 394.37918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N4O7/c18-11(6-10-4-2-1-3-5-10)16(27)21-12(7-14(23)24)17(28)20-8-13(22)19-9-15(25)26/h1-5,11-12H,6-9,18H2,(H,19,22)(H,20,28)(H,21,27)(H,23,24)(H,25,26)