(2R)-2-[(3-methyl-2-pyridin-4-yl-1H-indol-5-yl)carbonylamino]-3-phenylsulfanyl-propanoic acid

Systemtic Name: (2R)-2-[(3-methyl-2-pyridin-4-yl-1H-indol-5-yl)carbonylamino]-3-phenylsulfanyl-propanoic acid Openeye Name: (2R)-2-[[3-methyl-2-(4-pyridyl)-1H-indole-5-carbonyl]amino]-3-phenylsulfanyl-propanoic acid CAS Name: (2R)-2-[[(3-methyl-2-pyridin-4-yl-1H-indol-5-yl)-oxomethyl]amino]-3-(phenylthio)propanoic acid IUPAC Name: (2R)-2-[(3-methyl-2-pyridin-4-yl-1H-indole-5-carbonyl)amino]-3-phenylsulfanylpropanoic acid Traditional Name: (2R)-2-[[3-methyl-2-(4-pyridyl)-1H-indole-5-carbonyl]amino]-3-(phenylthio)propionic acid Formula: C24H21N3O3S MolecularWeight: 431.50684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC2=C1C=C(C=C2)C(=O)NC(CSC3=CC=CC=C3)C(=O)O)C4=CC=NC=C4

Isomeric SMILES

CC1=C(NC2=C1C=C(C=C2)C(=O)N[C@@H](CSC3=CC=CC=C3)C(=O)O)C4=CC=NC=C4

InChI

InChI=1S/C24H21N3O3S/c1-15-19-13-17(7-8-20(19)26-22(15)16-9-11-25-12-10-16)23(28)27-21(24(29)30)14-31-18-5-3-2-4-6-18/h2-13,21,26H,14H2,1H3,(H,27,28)(H,29,30)/t21-/m0/s1