N-[(2S)-3-(1H-indol-3-yl)-1-oxidanylidene-1-(4-phenylbutan-2-ylamino)propan-2-yl]thiophene-2-carboxamide

Systemtic Name: N-[(2S)-3-(1H-indol-3-yl)-1-oxidanylidene-1-(4-phenylbutan-2-ylamino)propan-2-yl]thiophene-2-carboxamide Openeye Name: N-[(1S)-1-(1H-indol-3-ylmethyl)-2-[(1-methyl-3-phenyl-propyl)amino]-2-oxo-ethyl]thiophene-2-carboxamide CAS Name: N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(4-phenylbutan-2-ylamino)propan-2-yl]-2-thiophenecarboxamide IUPAC Name: N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(4-phenylbutan-2-ylamino)propan-2-yl]thiophene-2-carboxamide Traditional Name: N-[(1S)-1-(1H-indol-3-ylmethyl)-2-keto-2-[(1-methyl-3-phenyl-propyl)amino]ethyl]thiophene-2-carboxamide Formula: C26H27N3O2S MolecularWeight: 445.57648

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)NC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C4=CC=CS4

Isomeric SMILES

CC(CCC1=CC=CC=C1)NC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)C4=CC=CS4

InChI

InChI=1S/C26H27N3O2S/c1-18(13-14-19-8-3-2-4-9-19)28-25(30)23(29-26(31)24-12-7-15-32-24)16-20-17-27-22-11-6-5-10-21(20)22/h2-12,15,17-18,23,27H,13-14,16H2,1H3,(H,28,30)(H,29,31)/t18?,23-/m0/s1