[(1R)-1-[(2R,3R,5R)-3-azido-5-methoxy-oxolan-2-yl]-2-[[(1S)-3-methyl-1-[(3S)-8-oxidanyl-1-oxidanylidene-3,4-dihydroisochromen-3-yl]butyl]amino]-2-oxidanylidene-ethyl] 3-chloranylbenzoate

Systemtic Name: [(1R)-1-[(2R,3R,5R)-3-azido-5-methoxy-oxolan-2-yl]-2-[[(1S)-3-methyl-1-[(3S)-8-oxidanyl-1-oxidanylidene-3,4-dihydroisochromen-3-yl]butyl]amino]-2-oxidanylidene-ethyl] 3-chloranylbenzoate Openeye Name: [(1R)-1-[(2R,3R,5R)-3-azido-5-methoxy-tetrahydrofuran-2-yl]-2-[[(1S)-1-[(3S)-8-hydroxy-1-oxo-isochroman-3-yl]-3-methyl-butyl]amino]-2-oxo-ethyl] 3-chlorobenzoate CAS Name: 3-chlorobenzoic acid [(1R)-1-[(2R,3R,5R)-3-azido-5-methoxy-2-oxolanyl]-2-[[(1S)-1-[(3S)-8-hydroxy-1-oxo-3,4-dihydro-1H-2-benzopyran-3-yl]-3-methylbutyl]amino]-2-oxoethyl] ester IUPAC Name: [(1R)-1-[(2R,3R,5R)-3-azido-5-methoxyoxolan-2-yl]-2-[[(1S)-1-[(3S)-8-hydroxy-1-oxo-3,4-dihydroisochromen-3-yl]-3-methylbutyl]amino]-2-oxoethyl] 3-chlorobenzoate Traditional Name: 3-chlorobenzoic acid [(1R)-1-[(2R,3R,5R)-3-azido-5-methoxy-tetrahydrofuran-2-yl]-2-[[(1S)-1-[(3S)-8-hydroxy-1-keto-isochroman-3-yl]-3-methyl-butyl]amino]-2-keto-ethyl] ester Formula: C28H31ClN4O8 MolecularWeight: 587.02074

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1CC2=C(C(=CC=C2)O)C(=O)O1)NC(=O)C(C3C(CC(O3)OC)N=[N+]=[N-])OC(=O)C4=CC(=CC=C4)Cl

Isomeric SMILES

CC(C)C[C@@H]([C@@H]1CC2=C(C(=CC=C2)O)C(=O)O1)NC(=O)[C@@H]([C@H]3[C@@H](C[C@@H](O3)OC)N=[N+]=[N-])OC(=O)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C28H31ClN4O8/c1-14(2)10-18(21-12-15-6-5-9-20(34)23(15)28(37)39-21)31-26(35)25(24-19(32-33-30)13-22(38-3)40-24)41-27(36)16-7-4-8-17(29)11-16/h4-9,11,14,18-19,21-22,24-25,34H,10,12-13H2,1-3H3,(H,31,35)/t18-,19+,21-,22+,24+,25+/m0/s1