(4R)-N-[(1S)-1-phenylethyl]-2-pyridin-2-ylsulfanyl-4-pyrrol-1-yl-heptanamide

Systemtic Name: (4R)-N-[(1S)-1-phenylethyl]-2-pyridin-2-ylsulfanyl-4-pyrrol-1-yl-heptanamide Openeye Name: (4R)-N-[(1S)-1-phenylethyl]-2-(2-pyridylsulfanyl)-4-pyrrol-1-yl-heptanamide CAS Name: (4R)-N-[(1S)-1-phenylethyl]-2-(2-pyridinylthio)-4-(1-pyrrolyl)heptanamide IUPAC Name: (4R)-N-[(1S)-1-phenylethyl]-2-pyridin-2-ylsulfanyl-4-pyrrol-1-ylheptanamide Traditional Name: (4R)-N-[(1S)-1-phenylethyl]-2-(2-pyridylthio)-4-pyrrol-1-yl-enanthamide Formula: C24H29N3OS MolecularWeight: 407.57156

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC(C(=O)NC(C)C1=CC=CC=C1)SC2=CC=CC=N2)N3C=CC=C3

Isomeric SMILES

CCC[C@H](CC(C(=O)N[C@@H](C)C1=CC=CC=C1)SC2=CC=CC=N2)N3C=CC=C3

InChI

InChI=1S/C24H29N3OS/c1-3-11-21(27-16-9-10-17-27)18-22(29-23-14-7-8-15-25-23)24(28)26-19(2)20-12-5-4-6-13-20/h4-10,12-17,19,21-22H,3,11,18H2,1-2H3,(H,26,28)/t19-,21+,22?/m0/s1