1-[4-[2,6-bis(azanyl)hexanoylamino]-5-oxidanyl-5-oxidanylidene-pentanoyl]-1-phenylmethoxycarbonyl-pyrrolidin-1-ium-2-carboxylic acid

Systemtic Name: 1-[4-[2,6-bis(azanyl)hexanoylamino]-5-oxidanyl-5-oxidanylidene-pentanoyl]-1-phenylmethoxycarbonyl-pyrrolidin-1-ium-2-carboxylic acid Openeye Name: 1-benzyloxycarbonyl-1-[4-(2,6-diaminohexanoylamino)-5-hydroxy-5-oxo-pentanoyl]pyrrolidin-1-ium-2-carboxylic acid CAS Name: 1-[4-[(2,6-diamino-1-oxohexyl)amino]-5-hydroxy-1,5-dioxopentyl]-1-phenylmethoxycarbonyl-2-pyrrolidin-1-iumcarboxylic acid IUPAC Name: 1-[4-(2,6-diaminohexanoylamino)-5-hydroxy-5-oxopentanoyl]-1-phenylmethoxycarbonylpyrrolidin-1-ium-2-carboxylic acid Traditional Name: 1-carbobenzoxy-1-[4-(2,6-diaminohexanoylamino)-5-hydroxy-5-keto-pentanoyl]pyrrolidin-1-ium-2-carboxylic acid Formula: C24H35N4O8+ MolecularWeight: 507.5567

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([N+](C1)(C(=O)CCC(C(=O)O)NC(=O)C(CCCCN)N)C(=O)OCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

C1CC([N+](C1)(C(=O)CCC(C(=O)O)NC(=O)C(CCCCN)N)C(=O)OCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C24H34N4O8/c25-13-5-4-9-17(26)21(30)27-18(22(31)32)11-12-20(29)28(14-6-10-19(28)23(33)34)24(35)36-15-16-7-2-1-3-8-16/h1-3,7-8,17-19H,4-6,9-15,25-26H2,(H2-,27,30,31,32,33,34)/p+1