N-[(4S,4aR,7R,8R,8aS)-8-(hydroxymethyl)-4a,8-dimethyl-7-oxidanyl-4-[2-oxidanylidene-2-[[(1R)-1-phenylethyl]amino]ethyl]-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-2-yl]-2,2-dimethyl-propanamide

Systemtic Name: N-[(4S,4aR,7R,8R,8aS)-8-(hydroxymethyl)-4a,8-dimethyl-7-oxidanyl-4-[2-oxidanylidene-2-[[(1R)-1-phenylethyl]amino]ethyl]-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-2-yl]-2,2-dimethyl-propanamide Openeye Name: N-[(4S,4aR,7R,8R,8aS)-7-hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-4-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-2-yl]-2,2-dimethyl-propanamide CAS Name: N-[(4S,4aR,7R,8R,8aS)-7-hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-4-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-2-yl]-2,2-dimethylpropanamide IUPAC Name: N-[(4S,4aR,7R,8R,8aS)-7-hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-4-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-2-yl]-2,2-dimethylpropanamide Traditional Name: N-[(4S,4aR,7R,8R,8aS)-7-hydroxy-4-[2-keto-2-[[(1R)-1-phenylethyl]amino]ethyl]-4a,8-dimethyl-8-methylol-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-2-yl]-2,2-dimethyl-propionamide Formula: C29H41N3O4S MolecularWeight: 527.71854

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)CC2C3=C(CC4C2(CCC(C4(C)CO)O)C)SC(=N3)NC(=O)C(C)(C)C

Isomeric SMILES

C[C@H](C1=CC=CC=C1)NC(=O)C[C@@H]2C3=C(C[C@H]4[C@]2(CC[C@H]([C@@]4(C)CO)O)C)SC(=N3)NC(=O)C(C)(C)C

InChI

InChI=1S/C29H41N3O4S/c1-17(18-10-8-7-9-11-18)30-23(35)14-19-24-20(37-26(31-24)32-25(36)27(2,3)4)15-21-28(19,5)13-12-22(34)29(21,6)16-33/h7-11,17,19,21-22,33-34H,12-16H2,1-6H3,(H,30,35)(H,31,32,36)/t17-,19-,21+,22-,28+,29+/m1/s1