2-[2-[[2-[(2-azanyl-3-phenyl-propanoyl)amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]ethanoylamino]butanedioic acid

Systemtic Name: 2-[2-[[2-[(2-azanyl-3-phenyl-propanoyl)amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]ethanoylamino]butanedioic acid Openeye Name: 2-[[2-[[2-[(2-amino-3-phenyl-propanoyl)amino]-4-hydroxy-4-oxo-butanoyl]amino]acetyl]amino]butanedioic acid CAS Name: 2-[[2-[[2-[(2-amino-1-oxo-3-phenylpropyl)amino]-4-hydroxy-1,4-dioxobutyl]amino]-1-oxoethyl]amino]butanedioic acid IUPAC Name: 2-[[2-[[2-[(2-amino-3-phenylpropanoyl)amino]-4-hydroxy-4-oxobutanoyl]amino]acetyl]amino]butanedioic acid Traditional Name: 2-[[2-[[4-hydroxy-4-keto-2-(phenylalanylamino)butanoyl]amino]acetyl]amino]succinic acid Formula: C19H24N4O9 MolecularWeight: 452.41526

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N4O9/c20-11(6-10-4-2-1-3-5-10)17(29)23-12(7-15(25)26)18(30)21-9-14(24)22-13(19(31)32)8-16(27)28/h1-5,11-13H,6-9,20H2,(H,21,30)(H,22,24)(H,23,29)(H,25,26)(H,27,28)(H,31,32)