2-[[(2R)-3-cyclohexyl-1-[(2S)-2-[[(3S)-1-methoxy-7-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxidanyl-1-oxidanylidene-heptan-3-yl]carbamoyl]azetidin-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]azetidin-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]azetidin-1-yl]-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-azetidinyl]-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]azetidin-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]azetidin-1-yl]-1-(cyclohexylmethyl)-2-keto-ethyl]amino]acetic acid Formula: C33H56N4O11 MolecularWeight: 684.81794

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCCC(C(C(=O)OC)O)NC(=O)C1CCN1C(=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]1CCN1C(=O)[C@@H](CC2CCCCC2)N(CC(=O)O)C(=O)OC(C)(C)C

InChI

InChI=1S/C33H56N4O11/c1-32(2,3)47-30(44)34-17-12-11-15-22(26(40)29(43)46-7)35-27(41)23-16-18-36(23)28(42)24(19-21-13-9-8-10-14-21)37(20-25(38)39)31(45)48-33(4,5)6/h21-24,26,40H,8-20H2,1-7H3,(H,34,44)(H,35,41)(H,38,39)/t22-,23-,24+,26?/m0/s1