[(2R,3R,4R,5R,6S)-3,4,5-triacetyloxy-6-[2-[3-(dimethylamino)propylcarbamoyl]-4-[(2-formamido-4-methyl-1,3-thiazol-5-yl)carbonylamino]pyrrol-1-yl]oxan-2-yl]methyl ethanoate

Systemtic Name: [(2R,3R,4R,5R,6S)-3,4,5-triacetyloxy-6-[2-[3-(dimethylamino)propylcarbamoyl]-4-[(2-formamido-4-methyl-1,3-thiazol-5-yl)carbonylamino]pyrrol-1-yl]oxan-2-yl]methyl ethanoate Openeye Name: [(2R,3R,4R,5R,6S)-3,4,5-triacetoxy-6-[2-[3-(dimethylamino)propylcarbamoyl]-4-[(2-formamido-4-methyl-thiazole-5-carbonyl)amino]pyrrol-1-yl]tetrahydropyran-2-yl]methyl acetate CAS Name: acetic acid [(2R,3R,4R,5R,6S)-3,4,5-triacetyloxy-6-[2-[[3-(dimethylamino)propylamino]-oxomethyl]-4-[[(2-formamido-4-methyl-5-thiazolyl)-oxomethyl]amino]-1-pyrrolyl]-2-oxanyl]methyl ester IUPAC Name: [(2R,3R,4R,5R,6S)-3,4,5-triacetyloxy-6-[2-[3-(dimethylamino)propylcarbamoyl]-4-[(2-formamido-4-methyl-1,3-thiazole-5-carbonyl)amino]pyrrol-1-yl]oxan-2-yl]methyl acetate Traditional Name: acetic acid [(2R,3R,4R,5R,6S)-3,4,5-triacetoxy-6-[2-[3-(dimethylamino)propylcarbamoyl]-4-[(2-formamido-4-methyl-thiazole-5-carbonyl)amino]pyrrol-1-yl]tetrahydropyran-2-yl]methyl ester Formula: C30H40N6O12S MolecularWeight: 708.7366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC=O)C(=O)NC2=CN(C(=C2)C(=O)NCCCN(C)C)C3C(C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CC1=C(SC(=N1)NC=O)C(=O)NC2=CN(C(=C2)C(=O)NCCCN(C)C)[C@@H]3[C@@H]([C@@H]([C@@H]([C@H](O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C30H40N6O12S/c1-15-26(49-30(33-15)32-14-37)28(43)34-20-11-21(27(42)31-9-8-10-35(6)7)36(12-20)29-25(47-19(5)41)24(46-18(4)40)23(45-17(3)39)22(48-29)13-44-16(2)38/h11-12,14,22-25,29H,8-10,13H2,1-7H3,(H,31,42)(H,34,43)(H,32,33,37)/t22-,23-,24-,25-,29+/m1/s1