N-[(2R)-1-[[(1R)-1-acetamido-2-naphthalen-1-yl-ethyl]amino]-3-(1-benzothiophen-3-yl)-1-oxidanylidene-propan-2-yl]piperidine-4-carboxamide

Systemtic Name: N-[(2R)-1-[[(1R)-1-acetamido-2-naphthalen-1-yl-ethyl]amino]-3-(1-benzothiophen-3-yl)-1-oxidanylidene-propan-2-yl]piperidine-4-carboxamide Openeye Name: N-[(1R)-2-[[(1R)-1-acetamido-2-(1-naphthyl)ethyl]amino]-1-(benzothiophen-3-ylmethyl)-2-oxo-ethyl]piperidine-4-carboxamide CAS Name: N-[(2R)-1-[[(1R)-1-acetamido-2-(1-naphthalenyl)ethyl]amino]-3-(1-benzothiophen-3-yl)-1-oxopropan-2-yl]-4-piperidinecarboxamide IUPAC Name: N-[(2R)-1-[[(1R)-1-acetamido-2-naphthalen-1-ylethyl]amino]-3-(1-benzothiophen-3-yl)-1-oxopropan-2-yl]piperidine-4-carboxamide Traditional Name: N-[(1R)-2-[[(1R)-1-acetamido-2-(1-naphthyl)ethyl]amino]-1-(benzothiophen-3-ylmethyl)-2-keto-ethyl]isonipecotamide Formula: C31H34N4O3S MolecularWeight: 542.69166

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CC=CC2=CC=CC=C21)NC(=O)C(CC3=CSC4=CC=CC=C43)NC(=O)C5CCNCC5

Isomeric SMILES

CC(=O)N[C@@H](CC1=CC=CC2=CC=CC=C21)NC(=O)[C@@H](CC3=CSC4=CC=CC=C43)NC(=O)C5CCNCC5

InChI

InChI=1S/C31H34N4O3S/c1-20(36)33-29(18-23-9-6-8-21-7-2-3-10-25(21)23)35-31(38)27(34-30(37)22-13-15-32-16-14-22)17-24-19-39-28-12-5-4-11-26(24)28/h2-12,19,22,27,29,32H,13-18H2,1H3,(H,33,36)(H,34,37)(H,35,38)/t27-,29-/m1/s1