2-[[4-[[4-[(4-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl)amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]-phenylmethoxycarbonyl-amino]pentanedioic acid

Systemtic Name: 2-[[4-[[4-[(4-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl)amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]-phenylmethoxycarbonyl-amino]pentanedioic acid Openeye Name: 2-[[4-[[4-[(4-amino-5-hydroxy-5-oxo-pentanoyl)amino]-5-hydroxy-5-oxo-pentanoyl]amino]-5-hydroxy-5-oxo-pentanoyl]-benzyloxycarbonyl-amino]pentanedioic acid CAS Name: 2-[[4-[[4-[(4-amino-5-hydroxy-1,5-dioxopentyl)amino]-5-hydroxy-1,5-dioxopentyl]amino]-5-hydroxy-1,5-dioxopentyl]-phenylmethoxycarbonylamino]pentanedioic acid IUPAC Name: 2-[[4-[[4-[(4-amino-5-hydroxy-5-oxopentanoyl)amino]-5-hydroxy-5-oxopentanoyl]amino]-5-hydroxy-5-oxopentanoyl]-phenylmethoxycarbonylamino]pentanedioic acid Traditional Name: 2-[[4-[[4-[(4-amino-5-hydroxy-5-keto-pentanoyl)amino]-5-hydroxy-5-keto-pentanoyl]amino]-5-hydroxy-5-keto-pentanoyl]-carbobenzoxy-amino]glutaric acid Formula: C28H36N4O15 MolecularWeight: 668.60324

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)N(C(CCC(=O)O)C(=O)O)C(=O)CCC(C(=O)O)NC(=O)CCC(C(=O)O)NC(=O)CCC(C(=O)O)N

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)N(C(CCC(=O)O)C(=O)O)C(=O)CCC(C(=O)O)NC(=O)CCC(C(=O)O)NC(=O)CCC(C(=O)O)N

InChI

InChI=1S/C28H36N4O15/c29-16(24(38)39)6-10-20(33)30-17(25(40)41)7-11-21(34)31-18(26(42)43)8-12-22(35)32(19(27(44)45)9-13-23(36)37)28(46)47-14-15-4-2-1-3-5-15/h1-5,16-19H,6-14,29H2,(H,30,33)(H,31,34)(H,36,37)(H,38,39)(H,40,41)(H,42,43)(H,44,45)