2-[[(2R)-3-cyclohexyl-1-[(2S)-2-[[(3S)-1-methoxy-7-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxidanyl-1-oxidanylidene-heptan-3-yl]carbamoyl]piperidin-1-yl]-1-oxidanylidene-propan-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethanoic acid

Systemtic Name: 2-[[(2R)-3-cyclohexyl-1-[(2S)-2-[[(3S)-1-methoxy-7-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxidanyl-1-oxidanylidene-heptan-3-yl]carbamoyl]piperidin-1-yl]-1-oxidanylidene-propan-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethanoic acid Openeye Name: 2-[tert-butoxycarbonyl-[(1R)-2-[(2S)-2-[[(1S)-5-(tert-butoxycarbonylamino)-1-(1-hydroxy-2-methoxy-2-oxo-ethyl)pentyl]carbamoyl]-1-piperidyl]-1-(cyclohexylmethyl)-2-oxo-ethyl]amino]acetic acid CAS Name: 2-[[(2R)-3-cyclohexyl-1-[(2S)-2-[[[(3S)-2-hydroxy-1-methoxy-7-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxoheptan-3-yl]amino]-oxomethyl]-1-piperidinyl]-1-oxopropan-2-yl]-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]acetic acid IUPAC Name: 2-[[(2R)-3-cyclohexyl-1-[(2S)-2-[[(3S)-2-hydroxy-1-methoxy-7-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxoheptan-3-yl]carbamoyl]piperidin-1-yl]-1-oxopropan-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid Traditional Name: 2-[tert-butoxycarbonyl-[(1R)-2-[(2S)-2-[[(1S)-5-(tert-butoxycarbonylamino)-1-(1-hydroxy-2-keto-2-methoxy-ethyl)pentyl]carbamoyl]piperidino]-1-(cyclohexylmethyl)-2-keto-ethyl]amino]acetic acid Formula: C35H60N4O11 MolecularWeight: 712.8711

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCCC(C(C(=O)OC)O)NC(=O)C1CCCCN1C(=O)C(CC2CCCCC2)N(CC(=O)O)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)NCCCC[C@@H](C(C(=O)OC)O)NC(=O)[C@@H]1CCCCN1C(=O)[C@@H](CC2CCCCC2)N(CC(=O)O)C(=O)OC(C)(C)C

InChI

InChI=1S/C35H60N4O11/c1-34(2,3)49-32(46)36-19-13-11-17-24(28(42)31(45)48-7)37-29(43)25-18-12-14-20-38(25)30(44)26(21-23-15-9-8-10-16-23)39(22-27(40)41)33(47)50-35(4,5)6/h23-26,28,42H,8-22H2,1-7H3,(H,36,46)(H,37,43)(H,40,41)/t24-,25-,26+,28?/m0/s1