2-[[(2R)-3-cyclohexyl-1-[(2S)-2-[[(3S)-7-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxidanyl-1-oxidanylidene-1-propan-2-yloxy-heptan-3-yl]carbamoyl]pyrrolidin-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)-7-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxidanyl-1-oxidanylidene-1-propan-2-yloxy-heptan-3-yl]carbamoyl]pyrrolidin-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-isopropoxy-2-oxo-ethyl)pentyl]carbamoyl]pyrrolidin-1-yl]-1-(cyclohexylmethyl)-2-oxo-ethyl]amino]acetic acid CAS Name: 2-[[(2R)-3-cyclohexyl-1-[(2S)-2-[[[(3S)-2-hydroxy-7-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxo-1-propan-2-yloxyheptan-3-yl]amino]-oxomethyl]-1-pyrrolidinyl]-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-7-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxo-1-propan-2-yloxyheptan-3-yl]carbamoyl]pyrrolidin-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-isopropoxy-2-keto-ethyl)pentyl]carbamoyl]pyrrolidino]-1-(cyclohexylmethyl)-2-keto-ethyl]amino]acetic acid Formula: C36H62N4O11 MolecularWeight: 726.89768

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C(C(CCCCNC(=O)OC(C)(C)C)NC(=O)C1CCCN1C(=O)C(CC2CCCCC2)N(CC(=O)O)C(=O)OC(C)(C)C)O

Isomeric SMILES

CC(C)OC(=O)C([C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CC2CCCCC2)N(CC(=O)O)C(=O)OC(C)(C)C)O

InChI

InChI=1S/C36H62N4O11/c1-23(2)49-32(46)29(43)25(17-12-13-19-37-33(47)50-35(3,4)5)38-30(44)26-18-14-20-39(26)31(45)27(21-24-15-10-9-11-16-24)40(22-28(41)42)34(48)51-36(6,7)8/h23-27,29,43H,9-22H2,1-8H3,(H,37,47)(H,38,44)(H,41,42)/t25-,26-,27+,29?/m0/s1