1-[1-[(2-acetamido-4-azanyl-4-oxidanylidene-butanoyl)amino]-2-oxidanyl-4-phenyl-butyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[1-[(2-acetamido-4-azanyl-4-oxidanylidene-butanoyl)amino]-2-oxidanyl-4-phenyl-butyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[1-[(2-acetamido-4-amino-4-oxo-butanoyl)amino]-2-hydroxy-4-phenyl-butyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[1-[(2-acetamido-4-amino-1,4-dioxobutyl)amino]-2-hydroxy-4-phenylbutyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[1-[(2-acetamido-4-amino-4-oxobutanoyl)amino]-2-hydroxy-4-phenylbutyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[1-[(2-acetamido-4-amino-4-keto-butanoyl)amino]-2-hydroxy-4-phenyl-butyl]proline Formula: C21H30N4O6 MolecularWeight: 434.4861

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC(=O)N)C(=O)NC(C(CCC1=CC=CC=C1)O)N2CCCC2C(=O)O

Isomeric SMILES

CC(=O)NC(CC(=O)N)C(=O)NC(C(CCC1=CC=CC=C1)O)N2CCCC2C(=O)O

InChI

InChI=1S/C21H30N4O6/c1-13(26)23-15(12-18(22)28)20(29)24-19(25-11-5-8-16(25)21(30)31)17(27)10-9-14-6-3-2-4-7-14/h2-4,6-7,15-17,19,27H,5,8-12H2,1H3,(H2,22,28)(H,23,26)(H,24,29)(H,30,31)