(2R)-2-[2-[4-[[(3R)-3-carboxy-3,5-bis(oxidanyl)-5-oxidanylidene-pentanoyl]-(phenylmethyl)amino]butyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl]-2-oxidanyl-butanedioic acid

Systemtic Name: (2R)-2-[2-[4-[[(3R)-3-carboxy-3,5-bis(oxidanyl)-5-oxidanylidene-pentanoyl]-(phenylmethyl)amino]butyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl]-2-oxidanyl-butanedioic acid Openeye Name: (2R)-2-[2-[benzyl-[4-[benzyl-[(3R)-3-carboxy-3,5-dihydroxy-5-oxo-pentanoyl]amino]butyl]amino]-2-oxo-ethyl]-2-hydroxy-butanedioic acid CAS Name: (2R)-2-[2-[4-[[(3R)-3-carboxy-3,5-dihydroxy-1,5-dioxopentyl]-(phenylmethyl)amino]butyl-(phenylmethyl)amino]-2-oxoethyl]-2-hydroxybutanedioic acid IUPAC Name: (2R)-2-[2-[benzyl-[4-[benzyl-[(3R)-3-carboxy-3,5-dihydroxy-5-oxopentanoyl]amino]butyl]amino]-2-oxoethyl]-2-hydroxybutanedioic acid Traditional Name: (2R)-2-[2-[benzyl-[4-[benzyl-[(3R)-3-carboxy-3,5-dihydroxy-5-keto-pentanoyl]amino]butyl]amino]-2-keto-ethyl]-2-hydroxy-succinic acid Formula: C30H36N2O12 MolecularWeight: 616.61304

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CCCCN(CC2=CC=CC=C2)C(=O)CC(CC(=O)O)(C(=O)O)O)C(=O)CC(CC(=O)O)(C(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)CN(CCCCN(CC2=CC=CC=C2)C(=O)C[C@@](CC(=O)O)(C(=O)O)O)C(=O)C[C@@](CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C30H36N2O12/c33-23(15-29(43,27(39)40)17-25(35)36)31(19-21-9-3-1-4-10-21)13-7-8-14-32(20-22-11-5-2-6-12-22)24(34)16-30(44,28(41)42)18-26(37)38/h1-6,9-12,43-44H,7-8,13-20H2,(H,35,36)(H,37,38)(H,39,40)(H,41,42)/t29-,30-/m1/s1