N-[(2R)-1-[[(1R)-1-acetamido-2-naphthalen-2-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-2-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-(2-naphthyl)ethyl]amino]-1-(benzothiophen-3-ylmethyl)-2-oxo-ethyl]piperidine-4-carboxamide CAS Name: N-[(2R)-1-[[(1R)-1-acetamido-2-(2-naphthalenyl)ethyl]amino]-3-(1-benzothiophen-3-yl)-1-oxopropan-2-yl]-4-piperidinecarboxamide IUPAC Name: N-[(2R)-1-[[(1R)-1-acetamido-2-naphthalen-2-ylethyl]amino]-3-(1-benzothiophen-3-yl)-1-oxopropan-2-yl]piperidine-4-carboxamide Traditional Name: N-[(1R)-2-[[(1R)-1-acetamido-2-(2-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=CC2=CC=CC=C2C=C1)NC(=O)C(CC3=CSC4=CC=CC=C43)NC(=O)C5CCNCC5

Isomeric SMILES

CC(=O)N[C@@H](CC1=CC2=CC=CC=C2C=C1)NC(=O)[C@@H](CC3=CSC4=CC=CC=C43)NC(=O)C5CCNCC5

InChI

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