1-[2-[[2-[(2-azanyl-3-phenyl-propanoyl)amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]propanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[2-[[2-[(2-azanyl-3-phenyl-propanoyl)amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]propanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-[[2-[(2-amino-3-phenyl-propanoyl)amino]-4-hydroxy-4-oxo-butanoyl]amino]propanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-[[2-[(2-amino-1-oxo-3-phenylpropyl)amino]-4-hydroxy-1,4-dioxobutyl]amino]-1-oxopropyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-[[2-[(2-amino-3-phenylpropanoyl)amino]-4-hydroxy-4-oxobutanoyl]amino]propanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-[[4-hydroxy-4-keto-2-(phenylalanylamino)butanoyl]amino]propanoyl]proline Formula: C21H28N4O7 MolecularWeight: 448.46962

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC1C(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(CC2=CC=CC=C2)N

Isomeric SMILES

CC(C(=O)N1CCCC1C(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(CC2=CC=CC=C2)N

InChI

InChI=1S/C21H28N4O7/c1-12(20(30)25-9-5-8-16(25)21(31)32)23-19(29)15(11-17(26)27)24-18(28)14(22)10-13-6-3-2-4-7-13/h2-4,6-7,12,14-16H,5,8-11,22H2,1H3,(H,23,29)(H,24,28)(H,26,27)(H,31,32)