(2R)-2-[[2-(1H-indol-2-ylcarbonylamino)-4-sulfanyl-butanoyl]amino]-3-phenyl-propanoic acid

Systemtic Name: (2R)-2-[[2-(1H-indol-2-ylcarbonylamino)-4-sulfanyl-butanoyl]amino]-3-phenyl-propanoic acid Openeye Name: (2R)-2-[[2-(1H-indole-2-carbonylamino)-4-sulfanyl-butanoyl]amino]-3-phenyl-propanoic acid CAS Name: (2R)-2-[[2-[[1H-indol-2-yl(oxo)methyl]amino]-4-mercapto-1-oxobutyl]amino]-3-phenylpropanoic acid IUPAC Name: (2R)-2-[[2-(1H-indole-2-carbonylamino)-4-sulfanylbutanoyl]amino]-3-phenylpropanoic acid Traditional Name: (2R)-2-[[2-(1H-indole-2-carbonylamino)-4-mercapto-butanoyl]amino]-3-phenyl-propionic acid Formula: C22H23N3O4S MolecularWeight: 425.50072

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)NC(=O)C(CCS)NC(=O)C2=CC3=CC=CC=C3N2

Isomeric SMILES

C1=CC=C(C=C1)C[C@H](C(=O)O)NC(=O)C(CCS)NC(=O)C2=CC3=CC=CC=C3N2

InChI

InChI=1S/C22H23N3O4S/c26-20(25-19(22(28)29)12-14-6-2-1-3-7-14)17(10-11-30)24-21(27)18-13-15-8-4-5-9-16(15)23-18/h1-9,13,17,19,23,30H,10-12H2,(H,24,27)(H,25,26)(H,28,29)/t17?,19-/m1/s1