methyl (2S)-3-[6-chloranyl-5-[(1S,4R,5R)-3-[(3R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-oxidanyl-hexa-1,5-diynyl]-4-(methoxymethoxy)-4-[(4-methoxyphenyl)methoxymethyl]-5-oxidanyl-cyclopent-2-en-1-yl]oxy-pyridin-2-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Systemtic Name: methyl (2S)-3-[6-chloranyl-5-[(1S,4R,5R)-3-[(3R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-oxidanyl-hexa-1,5-diynyl]-4-(methoxymethoxy)-4-[(4-methoxyphenyl)methoxymethyl]-5-oxidanyl-cyclopent-2-en-1-yl]oxy-pyridin-2-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Openeye Name: methyl (2S)-2-(tert-butoxycarbonylamino)-3-[6-chloro-5-[(1S,4R,5R)-3-[(3R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-hexa-1,5-diynyl]-5-hydroxy-4-(methoxymethoxy)-4-[(4-methoxyphenyl)methoxymethyl]cyclopent-2-en-1-yl]oxy-2-pyridyl]propanoate CAS Name: (2S)-3-[6-chloro-5-[[(1S,4R,5R)-3-[(3R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxyhexa-1,5-diynyl]-5-hydroxy-4-(methoxymethoxy)-4-[(4-methoxyphenyl)methoxymethyl]-1-cyclopent-2-enyl]oxy]-2-pyridinyl]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-3-[6-chloro-5-[(1S,4R,5R)-3-[(3R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxyhexa-1,5-diynyl]-5-hydroxy-4-(methoxymethoxy)-4-[(4-methoxyphenyl)methoxymethyl]cyclopent-2-en-1-yl]oxypyridin-2-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Traditional Name: (2S)-2-(tert-butoxycarbonylamino)-3-[6-chloro-5-[(1S,4R,5R)-3-[(3R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-hexa-1,5-diynyl]-5-hydroxy-4-(methoxymethoxy)-4-(p-anisyloxymethyl)cyclopent-2-en-1-yl]oxy-2-pyridyl]propionic acid methyl ester Formula: C41H51ClN2O13 MolecularWeight: 815.30224

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OCC(O1)C(CC#C)(C#CC2=CC(C(C2(COCC3=CC=C(C=C3)OC)OCOC)O)OC4=C(N=C(C=C4)CC(C(=O)OC)NC(=O)OC(C)(C)C)Cl)O)C

Isomeric SMILES

CC1(OC[C@@H](O1)[C@@](CC#C)(C#CC2=C[C@@H]([C@H]([C@@]2(COCC3=CC=C(C=C3)OC)OCOC)O)OC4=C(N=C(C=C4)C[C@@H](C(=O)OC)NC(=O)OC(C)(C)C)Cl)O)C

InChI

InChI=1S/C41H51ClN2O13/c1-10-18-40(48,33-23-53-39(5,6)56-33)19-17-27-20-32(34(45)41(27,54-25-49-7)24-52-22-26-11-14-29(50-8)15-12-26)55-31-16-13-28(43-35(31)42)21-30(36(46)51-9)44-37(47)57-38(2,3)4/h1,11-16,20,30,32-34,45,48H,18,21-25H2,2-9H3,(H,44,47)/t30-,32-,33+,34+,40+,41-/m0/s1