ethyl 5-[(2R,3R,4S)-3-acetyloxy-4-[[(3S,4R,5S)-4-acetyloxy-5-(4-ethanoyl-5-methyl-1H-pyrrol-2-yl)oxolan-3-yl]carbamothioylamino]oxolan-2-yl]-2-methyl-furan-3-carboxylate

Systemtic Name: ethyl 5-[(2R,3R,4S)-3-acetyloxy-4-[[(3S,4R,5S)-4-acetyloxy-5-(4-ethanoyl-5-methyl-1H-pyrrol-2-yl)oxolan-3-yl]carbamothioylamino]oxolan-2-yl]-2-methyl-furan-3-carboxylate Openeye Name: ethyl 5-[(2R,3R,4S)-3-acetoxy-4-[[(3S,4R,5S)-4-acetoxy-5-(4-acetyl-5-methyl-1H-pyrrol-2-yl)tetrahydrofuran-3-yl]carbamothioylamino]tetrahydrofuran-2-yl]-2-methyl-furan-3-carboxylate CAS Name: 5-[(2R,3R,4S)-4-[[[[(3S,4R,5S)-5-(4-acetyl-5-methyl-1H-pyrrol-2-yl)-4-acetyloxy-3-oxolanyl]amino]-sulfanylidenemethyl]amino]-3-acetyloxy-2-oxolanyl]-2-methyl-3-furancarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(2R,3R,4S)-4-[[(3S,4R,5S)-5-(4-acetyl-5-methyl-1H-pyrrol-2-yl)-4-acetyloxyoxolan-3-yl]carbamothioylamino]-3-acetyloxyoxolan-2-yl]-2-methylfuran-3-carboxylate Traditional Name: 5-[(2R,3R,4S)-3-acetoxy-4-[[(3S,4R,5S)-4-acetoxy-5-(4-acetyl-5-methyl-1H-pyrrol-2-yl)tetrahydrofuran-3-yl]thiocarbamoylamino]tetrahydrofuran-2-yl]-2-methyl-furan-3-carboxylic acid ethyl ester Formula: C28H35N3O10S MolecularWeight: 605.6566

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC(=C1)C2C(C(CO2)NC(=S)NC3COC(C3OC(=O)C)C4=CC(=C(N4)C)C(=O)C)OC(=O)C)C

Isomeric SMILES

CCOC(=O)C1=C(OC(=C1)[C@H]2[C@@H]([C@H](CO2)NC(=S)N[C@H]3CO[C@H]([C@@H]3OC(=O)C)C4=CC(=C(N4)C)C(=O)C)OC(=O)C)C

InChI

InChI=1S/C28H35N3O10S/c1-7-36-27(35)18-9-22(39-14(18)4)26-25(41-16(6)34)21(11-38-26)31-28(42)30-20-10-37-23(24(20)40-15(5)33)19-8-17(13(3)32)12(2)29-19/h8-9,20-21,23-26,29H,7,10-11H2,1-6H3,(H2,30,31,42)/t20-,21-,23-,24+,25+,26-/m0/s1