2-[[2-[(2,2-dimethyl-1,3-dioxolan-4-yl)carbonylsulfanylmethyl]-3-phenyl-propanoyl]amino]-2-phenylazanyl-pentanedioic acid

Systemtic Name: 2-[[2-[(2,2-dimethyl-1,3-dioxolan-4-yl)carbonylsulfanylmethyl]-3-phenyl-propanoyl]amino]-2-phenylazanyl-pentanedioic acid Openeye Name: 2-anilino-2-[[2-benzyl-3-(2,2-dimethyl-1,3-dioxolane-4-carbonyl)sulfanyl-propanoyl]amino]pentanedioic acid CAS Name: 2-anilino-2-[[2-[[[(2,2-dimethyl-1,3-dioxolan-4-yl)-oxomethyl]thio]methyl]-1-oxo-3-phenylpropyl]amino]pentanedioic acid IUPAC Name: 2-anilino-2-[[2-benzyl-3-(2,2-dimethyl-1,3-dioxolane-4-carbonyl)sulfanylpropanoyl]amino]pentanedioic acid Traditional Name: 2-anilino-2-[[2-benzyl-3-[(2,2-dimethyl-1,3-dioxolane-4-carbonyl)thio]propanoyl]amino]glutaric acid Formula: C27H32N2O8S MolecularWeight: 544.61658

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OCC(O1)C(=O)SCC(CC2=CC=CC=C2)C(=O)NC(CCC(=O)O)(C(=O)O)NC3=CC=CC=C3)C

Isomeric SMILES

CC1(OCC(O1)C(=O)SCC(CC2=CC=CC=C2)C(=O)NC(CCC(=O)O)(C(=O)O)NC3=CC=CC=C3)C

InChI

InChI=1S/C27H32N2O8S/c1-26(2)36-16-21(37-26)24(33)38-17-19(15-18-9-5-3-6-10-18)23(32)29-27(25(34)35,14-13-22(30)31)28-20-11-7-4-8-12-20/h3-12,19,21,28H,13-17H2,1-2H3,(H,29,32)(H,30,31)(H,34,35)