(2R,3S)-3-[(2R,5R)-5-[(2S)-2-[[3,5-bis(chloranyl)-4-methoxy-phenyl]carbonylamino]-3-methoxy-3-oxidanylidene-propyl]-2-methoxycarbonyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanyl-propanoic acid

Systemtic Name: (2R,3S)-3-[(2R,5R)-5-[(2S)-2-[[3,5-bis(chloranyl)-4-methoxy-phenyl]carbonylamino]-3-methoxy-3-oxidanylidene-propyl]-2-methoxycarbonyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanyl-propanoic acid Openeye Name: (2R,3S)-2-(tert-butoxycarbonylamino)-3-[(2R,5R)-1-tert-butoxycarbonyl-5-[(2S)-2-[(3,5-dichloro-4-methoxy-benzoyl)amino]-3-methoxy-3-oxo-propyl]-2-methoxycarbonyl-pyrrolidin-2-yl]-3-hydroxy-propanoic acid CAS Name: (2R,3S)-3-[(2R,5R)-5-[(2S)-2-[[(3,5-dichloro-4-methoxyphenyl)-oxomethyl]amino]-3-methoxy-3-oxopropyl]-2-methoxycarbonyl-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-2-pyrrolidinyl]-3-hydroxy-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid IUPAC Name: (2R,3S)-3-[(2R,5R)-5-[(2S)-2-[(3,5-dichloro-4-methoxybenzoyl)amino]-3-methoxy-3-oxopropyl]-2-methoxycarbonyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Traditional Name: (2R,3S)-2-(tert-butoxycarbonylamino)-3-[(2R,5R)-1-tert-butoxycarbonyl-2-carbomethoxy-5-[(2S)-2-[(3,5-dichloro-4-methoxy-benzoyl)amino]-3-keto-3-methoxy-propyl]pyrrolidin-2-yl]-3-hydroxy-propionic acid Formula: C31H43Cl2N3O13 MolecularWeight: 736.59142

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(C(C1(CCC(N1C(=O)OC(C)(C)C)CC(C(=O)OC)NC(=O)C2=CC(=C(C(=C2)Cl)OC)Cl)C(=O)OC)O)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)N[C@H]([C@@H]([C@]1(CC[C@@H](N1C(=O)OC(C)(C)C)C[C@@H](C(=O)OC)NC(=O)C2=CC(=C(C(=C2)Cl)OC)Cl)C(=O)OC)O)C(=O)O

InChI

InChI=1S/C31H43Cl2N3O13/c1-29(2,3)48-27(43)35-20(24(39)40)22(37)31(26(42)47-9)11-10-16(36(31)28(44)49-30(4,5)6)14-19(25(41)46-8)34-23(38)15-12-17(32)21(45-7)18(33)13-15/h12-13,16,19-20,22,37H,10-11,14H2,1-9H3,(H,34,38)(H,35,43)(H,39,40)/t16-,19+,20-,22+,31-/m1/s1