(6R)-N-[(1S)-2-azanyl-1-[3-(1H-pyrrol-2-ylcarbonylamino)phenyl]ethyl]-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide

Systemtic Name: (6R)-N-[(1S)-2-azanyl-1-[3-(1H-pyrrol-2-ylcarbonylamino)phenyl]ethyl]-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide Openeye Name: (6R)-N-[(1S)-2-amino-1-[3-(1H-pyrrole-2-carbonylamino)phenyl]ethyl]-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide CAS Name: (6R)-N-[(1S)-2-amino-1-[3-[[oxo(1H-pyrrol-2-yl)methyl]amino]phenyl]ethyl]-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide IUPAC Name: (6R)-N-[(1S)-2-amino-1-[3-(1H-pyrrole-2-carbonylamino)phenyl]ethyl]-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide Traditional Name: (6R)-N-[(1S)-2-amino-1-[3-(1H-pyrrole-2-carbonylamino)phenyl]ethyl]-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide Formula: C29H33N5O2S MolecularWeight: 515.66962

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)C=C3C=C(SC3=N2)C(=O)NC(CN)C4=CC(=CC=C4)NC(=O)C5=CC=CN5

Isomeric SMILES

CC(C)(C)[C@@H]1CCC2=C(C1)C=C3C=C(SC3=N2)C(=O)N[C@H](CN)C4=CC(=CC=C4)NC(=O)C5=CC=CN5

InChI

InChI=1S/C29H33N5O2S/c1-29(2,3)20-9-10-22-18(13-20)12-19-15-25(37-28(19)34-22)27(36)33-24(16-30)17-6-4-7-21(14-17)32-26(35)23-8-5-11-31-23/h4-8,11-12,14-15,20,24,31H,9-10,13,16,30H2,1-3H3,(H,32,35)(H,33,36)/t20-,24-/m1/s1