N-[(2R)-1-[[(1R)-1-acetamido-2-naphthalen-2-yl-ethyl]amino]-3-(1-benzothiophen-3-yl)-1-oxidanylidene-propan-2-yl]-4-azanyl-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]-4-azanyl-piperidine-4-carboxamide Openeye Name: N-[(1R)-2-[[(1R)-1-acetamido-2-(2-naphthyl)ethyl]amino]-1-(benzothiophen-3-ylmethyl)-2-oxo-ethyl]-4-amino-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-amino-4-piperidinecarboxamide IUPAC Name: N-[(2R)-1-[[(1R)-1-acetamido-2-naphthalen-2-ylethyl]amino]-3-(1-benzothiophen-3-yl)-1-oxopropan-2-yl]-4-aminopiperidine-4-carboxamide Traditional Name: N-[(1R)-2-[[(1R)-1-acetamido-2-(2-naphthyl)ethyl]amino]-1-(benzothiophen-3-ylmethyl)-2-keto-ethyl]-4-amino-isonipecotamide Formula: C31H35N5O3S MolecularWeight: 557.7063

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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)C5(CCNCC5)N

Isomeric SMILES

CC(=O)N[C@@H](CC1=CC2=CC=CC=C2C=C1)NC(=O)[C@@H](CC3=CSC4=CC=CC=C43)NC(=O)C5(CCNCC5)N

InChI

InChI=1S/C31H35N5O3S/c1-20(37)34-28(17-21-10-11-22-6-2-3-7-23(22)16-21)36-29(38)26(35-30(39)31(32)12-14-33-15-13-31)18-24-19-40-27-9-5-4-8-25(24)27/h2-11,16,19,26,28,33H,12-15,17-18,32H2,1H3,(H,34,37)(H,35,39)(H,36,38)/t26-,28-/m1/s1