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

Systemtic Name: (2R)-3-phenylsulfanyl-2-[(2-pyridin-4-yl-1H-indol-5-yl)carbonylamino]propanoic acid Openeye Name: (2R)-3-phenylsulfanyl-2-[[2-(4-pyridyl)-1H-indole-5-carbonyl]amino]propanoic acid CAS Name: (2R)-2-[[oxo-(2-pyridin-4-yl-1H-indol-5-yl)methyl]amino]-3-(phenylthio)propanoic acid IUPAC Name: (2R)-3-phenylsulfanyl-2-[(2-pyridin-4-yl-1H-indole-5-carbonyl)amino]propanoic acid Traditional Name: (2R)-3-(phenylthio)-2-[[2-(4-pyridyl)-1H-indole-5-carbonyl]amino]propionic acid Formula: C23H19N3O3S MolecularWeight: 417.48026

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCC(C(=O)O)NC(=O)C2=CC3=C(C=C2)NC(=C3)C4=CC=NC=C4

Isomeric SMILES

C1=CC=C(C=C1)SC[C@@H](C(=O)O)NC(=O)C2=CC3=C(C=C2)NC(=C3)C4=CC=NC=C4

InChI

InChI=1S/C23H19N3O3S/c27-22(26-21(23(28)29)14-30-18-4-2-1-3-5-18)16-6-7-19-17(12-16)13-20(25-19)15-8-10-24-11-9-15/h1-13,21,25H,14H2,(H,26,27)(H,28,29)/t21-/m0/s1