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

Systemtic Name: 2-[[4-[(4-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl)amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]-phenylmethoxycarbonyl-amino]pentanedioic acid Openeye Name: 2-[[4-[(4-amino-5-hydroxy-5-oxo-pentanoyl)amino]-5-hydroxy-5-oxo-pentanoyl]-benzyloxycarbonyl-amino]pentanedioic acid CAS Name: 2-[[4-[(4-amino-5-hydroxy-1,5-dioxopentyl)amino]-5-hydroxy-1,5-dioxopentyl]-phenylmethoxycarbonylamino]pentanedioic acid IUPAC Name: 2-[[4-[(4-amino-5-hydroxy-5-oxopentanoyl)amino]-5-hydroxy-5-oxopentanoyl]-phenylmethoxycarbonylamino]pentanedioic acid Traditional Name: 2-[[4-[(4-amino-5-hydroxy-5-keto-pentanoyl)amino]-5-hydroxy-5-keto-pentanoyl]-carbobenzoxy-amino]glutaric acid Formula: C23H29N3O12 MolecularWeight: 539.48926

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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)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)N

InChI

InChI=1S/C23H29N3O12/c24-14(20(31)32)6-9-17(27)25-15(21(33)34)7-10-18(28)26(16(22(35)36)8-11-19(29)30)23(37)38-12-13-4-2-1-3-5-13/h1-5,14-16H,6-12,24H2,(H,25,27)(H,29,30)(H,31,32)(H,33,34)(H,35,36)