tert-butyl 4-[3-[[(3S,4S)-5-[3,5-bis(fluoranyl)phenyl]-4-[[3-(dipropylcarbamoyl)-5-methyl-phenyl]carbonylamino]-3-oxidanyl-pentyl]amino]-3-oxidanylidene-propyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[3-[[(3S,4S)-5-[3,5-bis(fluoranyl)phenyl]-4-[[3-(dipropylcarbamoyl)-5-methyl-phenyl]carbonylamino]-3-oxidanyl-pentyl]amino]-3-oxidanylidene-propyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[3-[[(3S,4S)-5-(3,5-difluorophenyl)-4-[[3-(dipropylcarbamoyl)-5-methyl-benzoyl]amino]-3-hydroxy-pentyl]amino]-3-oxo-propyl]piperidine-1-carboxylate CAS Name: 4-[3-[[(3S,4S)-5-(3,5-difluorophenyl)-4-[[[3-[(dipropylamino)-oxomethyl]-5-methylphenyl]-oxomethyl]amino]-3-hydroxypentyl]amino]-3-oxopropyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-[[(3S,4S)-5-(3,5-difluorophenyl)-4-[[3-(dipropylcarbamoyl)-5-methylbenzoyl]amino]-3-hydroxypentyl]amino]-3-oxopropyl]piperidine-1-carboxylate Traditional Name: 4-[3-[[(3S,4S)-5-(3,5-difluorophenyl)-4-[[3-(dipropylcarbamoyl)-5-methyl-benzoyl]amino]-3-hydroxy-pentyl]amino]-3-keto-propyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C39H56F2N4O6 MolecularWeight: 714.881946

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C(=O)C1=CC(=CC(=C1)C(=O)NC(CC2=CC(=CC(=C2)F)F)C(CCNC(=O)CCC3CCN(CC3)C(=O)OC(C)(C)C)O)C

Isomeric SMILES

CCCN(CCC)C(=O)C1=CC(=CC(=C1)C(=O)N[C@@H](CC2=CC(=CC(=C2)F)F)[C@H](CCNC(=O)CCC3CCN(CC3)C(=O)OC(C)(C)C)O)C

InChI

InChI=1S/C39H56F2N4O6/c1-7-15-44(16-8-2)37(49)30-20-26(3)19-29(24-30)36(48)43-33(23-28-21-31(40)25-32(41)22-28)34(46)11-14-42-35(47)10-9-27-12-17-45(18-13-27)38(50)51-39(4,5)6/h19-22,24-25,27,33-34,46H,7-18,23H2,1-6H3,(H,42,47)(H,43,48)/t33-,34-/m0/s1