(2R)-2-azanyl-3-[(2-azanyl-3-cyano-7a-methyl-5-oxidanylidene-1-phenyl-6,7-dihydroindol-7-yl)sulfanyl]propanoic acid

Systemtic Name: (2R)-2-azanyl-3-[(2-azanyl-3-cyano-7a-methyl-5-oxidanylidene-1-phenyl-6,7-dihydroindol-7-yl)sulfanyl]propanoic acid Openeye Name: (2R)-2-amino-3-[(2-amino-3-cyano-7a-methyl-5-oxo-1-phenyl-6,7-dihydroindol-7-yl)sulfanyl]propanoic acid CAS Name: (2R)-2-amino-3-[(2-amino-3-cyano-7a-methyl-5-oxo-1-phenyl-6,7-dihydroindol-7-yl)thio]propanoic acid IUPAC Name: (2R)-2-amino-3-[(2-amino-3-cyano-7a-methyl-5-oxo-1-phenyl-6,7-dihydroindol-7-yl)sulfanyl]propanoic acid Traditional Name: (2R)-2-amino-3-[(2-amino-3-cyano-5-keto-7a-methyl-1-phenyl-6,7-dihydroindol-7-yl)thio]propionic acid Formula: C19H20N4O3S MolecularWeight: 384.4521

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Descriptors Computed from Structure

Canonical SMILES:

CC12C(CC(=O)C=C1C(=C(N2C3=CC=CC=C3)N)C#N)SCC(C(=O)O)N

Isomeric SMILES

CC12C(CC(=O)C=C1C(=C(N2C3=CC=CC=C3)N)C#N)SC[C@@H](C(=O)O)N

InChI

InChI=1S/C19H20N4O3S/c1-19-14(7-12(24)8-16(19)27-10-15(21)18(25)26)13(9-20)17(22)23(19)11-5-3-2-4-6-11/h2-7,15-16H,8,10,21-22H2,1H3,(H,25,26)/t15-,16?,19?/m0/s1