methyl (1S,2S,3R,4R)-3-[(1S)-1-acetamido-2-ethyl-butyl]-2-imidazol-1-ylcarbothioyloxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate

Systemtic Name: methyl (1S,2S,3R,4R)-3-[(1S)-1-acetamido-2-ethyl-butyl]-2-imidazol-1-ylcarbothioyloxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate Openeye Name: methyl (1S,2S,3R,4R)-3-[(1S)-1-acetamido-2-ethyl-butyl]-4-(tert-butoxycarbonylamino)-2-(imidazole-1-carbothioyloxy)cyclopentanecarboxylate CAS Name: (1S,2S,3R,4R)-3-[(1S)-1-acetamido-2-ethylbutyl]-2-[1-imidazolyl(sulfanylidene)methoxy]-4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-cyclopentanecarboxylic acid methyl ester IUPAC Name: methyl (1S,2S,3R,4R)-3-[(1S)-1-acetamido-2-ethylbutyl]-2-(imidazole-1-carbothioyloxy)-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate Traditional Name: (1S,2S,3R,4R)-3-[(1S)-1-acetamido-2-ethyl-butyl]-4-(tert-butoxycarbonylamino)-2-(imidazole-1-carbothioyloxy)cyclopentanecarboxylic acid methyl ester Formula: C24H38N4O6S MolecularWeight: 510.64672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(C1C(CC(C1OC(=S)N2C=CN=C2)C(=O)OC)NC(=O)OC(C)(C)C)NC(=O)C

Isomeric SMILES

CCC(CC)[C@@H]([C@H]1[C@@H](C[C@@H]([C@H]1OC(=S)N2C=CN=C2)C(=O)OC)NC(=O)OC(C)(C)C)NC(=O)C

InChI

InChI=1S/C24H38N4O6S/c1-8-15(9-2)19(26-14(3)29)18-17(27-22(31)34-24(4,5)6)12-16(21(30)32-7)20(18)33-23(35)28-11-10-25-13-28/h10-11,13,15-20H,8-9,12H2,1-7H3,(H,26,29)(H,27,31)/t16-,17+,18+,19-,20+/m0/s1