1-[2-[[6-azanyl-2-[(2-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl)amino]hexanoyl]amino]-3-phenyl-propanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[2-[[6-azanyl-2-[(2-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl)amino]hexanoyl]amino]-3-phenyl-propanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-[[6-amino-2-[(2-amino-5-hydroxy-5-oxo-pentanoyl)amino]hexanoyl]amino]-3-phenyl-propanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-[[6-amino-2-[(2-amino-5-hydroxy-1,5-dioxopentyl)amino]-1-oxohexyl]amino]-1-oxo-3-phenylpropyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-[[6-amino-2-[(2-amino-5-hydroxy-5-oxopentanoyl)amino]hexanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-[[6-amino-2-[(2-amino-5-hydroxy-5-keto-pentanoyl)amino]hexanoyl]amino]-3-phenyl-propanoyl]proline Formula: C25H37N5O7 MolecularWeight: 519.59058

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CC2=CC=CC=C2)NC(=O)C(CCCCN)NC(=O)C(CCC(=O)O)N)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(=O)C(CC2=CC=CC=C2)NC(=O)C(CCCCN)NC(=O)C(CCC(=O)O)N)C(=O)O

InChI

InChI=1S/C25H37N5O7/c26-13-5-4-9-18(28-22(33)17(27)11-12-21(31)32)23(34)29-19(15-16-7-2-1-3-8-16)24(35)30-14-6-10-20(30)25(36)37/h1-3,7-8,17-20H,4-6,9-15,26-27H2,(H,28,33)(H,29,34)(H,31,32)(H,36,37)