(2S)-2-[[2-[(3-oxidanylidene-1H-2-benzofuran-1-yl)sulfanylmethyl]-3-phenyl-propanoyl]amino]-2-phenylazanyl-butanedioic acid

Systemtic Name: (2S)-2-[[2-[(3-oxidanylidene-1H-2-benzofuran-1-yl)sulfanylmethyl]-3-phenyl-propanoyl]amino]-2-phenylazanyl-butanedioic acid Openeye Name: (2S)-2-anilino-2-[[2-benzyl-3-[(3-oxo-1H-isobenzofuran-1-yl)sulfanyl]propanoyl]amino]butanedioic acid CAS Name: (2S)-2-anilino-2-[[1-oxo-2-[[(3-oxo-1H-isobenzofuran-1-yl)thio]methyl]-3-phenylpropyl]amino]butanedioic acid IUPAC Name: (2S)-2-anilino-2-[[2-benzyl-3-[(3-oxo-1H-2-benzofuran-1-yl)sulfanyl]propanoyl]amino]butanedioic acid Traditional Name: (2S)-2-anilino-2-[[2-benzyl-3-(phthalidylthio)propanoyl]amino]succinic acid Formula: C28H26N2O7S MolecularWeight: 534.58024

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CSC2C3=CC=CC=C3C(=O)O2)C(=O)NC(CC(=O)O)(C(=O)O)NC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CC(CSC2C3=CC=CC=C3C(=O)O2)C(=O)N[C@@](CC(=O)O)(C(=O)O)NC4=CC=CC=C4

InChI

InChI=1S/C28H26N2O7S/c31-23(32)16-28(27(35)36,29-20-11-5-2-6-12-20)30-24(33)19(15-18-9-3-1-4-10-18)17-38-26-22-14-8-7-13-21(22)25(34)37-26/h1-14,19,26,29H,15-17H2,(H,30,33)(H,31,32)(H,35,36)/t19?,26?,28-/m0/s1