(3S)-1-[2-[[3-(6-azanylhexanoylamino)-1-methylsulfanyl-cyclopentyl]carbonylamino]-3-naphthalen-2-yl-propanoyl]-N-ethyl-3-(phenylmethyl)piperidine-3-carboxamide; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: (3S)-1-[2-[[3-(6-azanylhexanoylamino)-1-methylsulfanyl-cyclopentyl]carbonylamino]-3-naphthalen-2-yl-propanoyl]-N-ethyl-3-(phenylmethyl)piperidine-3-carboxamide; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: (3S)-1-[2-[[3-(6-aminohexanoylamino)-1-methylsulfanyl-cyclopentanecarbonyl]amino]-3-(2-naphthyl)propanoyl]-3-benzyl-N-ethyl-piperidine-3-carboxamide; 2,2,2-trifluoroacetic acid CAS Name: (3S)-1-[2-[[[3-[(6-amino-1-oxohexyl)amino]-1-(methylthio)cyclopentyl]-oxomethyl]amino]-3-(2-naphthalenyl)-1-oxopropyl]-N-ethyl-3-(phenylmethyl)-3-piperidinecarboxamide; 2,2,2-trifluoroacetic acid IUPAC Name: (3S)-1-[2-[[3-(6-aminohexanoylamino)-1-methylsulfanylcyclopentanecarbonyl]amino]-3-naphthalen-2-ylpropanoyl]-3-benzyl-N-ethylpiperidine-3-carboxamide; 2,2,2-trifluoroacetic acid Traditional Name: (3S)-1-[2-[[3-(6-aminohexanoylamino)-1-(methylthio)cyclopentanecarbonyl]amino]-3-(2-naphthyl)propanoyl]-3-benzyl-N-ethyl-nipecotamide; 2,2,2-trifluoroacetic acid Formula: C43H56F3N5O6S MolecularWeight: 827.99485

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1(CCCN(C1)C(=O)C(CC2=CC3=CC=CC=C3C=C2)NC(=O)C4(CCC(C4)NC(=O)CCCCCN)SC)CC5=CC=CC=C5.C(=O)(C(F)(F)F)O

Isomeric SMILES

CCNC(=O)[C@@]1(CCCN(C1)C(=O)C(CC2=CC3=CC=CC=C3C=C2)NC(=O)C4(CCC(C4)NC(=O)CCCCCN)SC)CC5=CC=CC=C5.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C41H55N5O4S.C2HF3O2/c1-3-43-38(49)40(27-30-13-6-4-7-14-30)21-12-24-46(29-40)37(48)35(26-31-18-19-32-15-9-10-16-33(32)25-31)45-39(50)41(51-2)22-20-34(28-41)44-36(47)17-8-5-11-23-42;3-2(4,5)1(6)7/h4,6-7,9-10,13-16,18-19,25,34-35H,3,5,8,11-12,17,20-24,26-29,42H2,1-2H3,(H,43,49)(H,44,47)(H,45,50);(H,6,7)/t34?,35?,40-,41?;/m0./s1