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

Systemtic Name: 1-[2-[[6-azanyl-2-[[2-[(2-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl)amino]-3-phenyl-propanoyl]amino]hexanoyl]amino]-3-phenyl-propanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-[[6-amino-2-[[2-[(2-amino-5-hydroxy-5-oxo-pentanoyl)amino]-3-phenyl-propanoyl]amino]hexanoyl]amino]-3-phenyl-propanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-[[6-amino-2-[[2-[(2-amino-5-hydroxy-1,5-dioxopentyl)amino]-1-oxo-3-phenylpropyl]amino]-1-oxohexyl]amino]-1-oxo-3-phenylpropyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-[[6-amino-2-[[2-[(2-amino-5-hydroxy-5-oxopentanoyl)amino]-3-phenylpropanoyl]amino]hexanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-[[6-amino-2-[[2-[(2-amino-5-hydroxy-5-keto-pentanoyl)amino]-3-phenyl-propanoyl]amino]hexanoyl]amino]-3-phenyl-propanoyl]proline Formula: C34H46N6O8 MolecularWeight: 666.76444

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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(CC3=CC=CC=C3)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(CC3=CC=CC=C3)NC(=O)C(CCC(=O)O)N)C(=O)O

InChI

InChI=1S/C34H46N6O8/c35-18-8-7-14-25(37-32(45)26(20-22-10-3-1-4-11-22)38-30(43)24(36)16-17-29(41)42)31(44)39-27(21-23-12-5-2-6-13-23)33(46)40-19-9-15-28(40)34(47)48/h1-6,10-13,24-28H,7-9,14-21,35-36H2,(H,37,45)(H,38,43)(H,39,44)(H,41,42)(H,47,48)