N-[(4S,5R,6R)-2-methyl-5,6-bis(oxidanyl)-8-oxidanylidene-8-[(phenylmethyl)amino]octan-4-yl]-2-(methylsulfonylamino)-1,3-oxazole-4-carboxamide

Systemtic Name: N-[(4S,5R,6R)-2-methyl-5,6-bis(oxidanyl)-8-oxidanylidene-8-[(phenylmethyl)amino]octan-4-yl]-2-(methylsulfonylamino)-1,3-oxazole-4-carboxamide Openeye Name: N-[(1S,2R,3R)-5-(benzylamino)-2,3-dihydroxy-1-isobutyl-5-oxo-pentyl]-2-(methanesulfonamido)oxazole-4-carboxamide CAS Name: N-[(4S,5R,6R)-5,6-dihydroxy-2-methyl-8-oxo-8-[(phenylmethyl)amino]octan-4-yl]-2-(methanesulfonamido)-4-oxazolecarboxamide IUPAC Name: N-[(4S,5R,6R)-8-(benzylamino)-5,6-dihydroxy-2-methyl-8-oxooctan-4-yl]-2-(methanesulfonamido)-1,3-oxazole-4-carboxamide Traditional Name: N-[(1S,2R,3R)-5-(benzylamino)-2,3-dihydroxy-1-isobutyl-5-keto-pentyl]-2-(methanesulfonamido)oxazole-4-carboxamide Formula: C21H30N4O7S MolecularWeight: 482.5505

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(C(CC(=O)NCC1=CC=CC=C1)O)O)NC(=O)C2=COC(=N2)NS(=O)(=O)C

Isomeric SMILES

CC(C)C[C@@H]([C@H]([C@@H](CC(=O)NCC1=CC=CC=C1)O)O)NC(=O)C2=COC(=N2)NS(=O)(=O)C

InChI

InChI=1S/C21H30N4O7S/c1-13(2)9-15(23-20(29)16-12-32-21(24-16)25-33(3,30)31)19(28)17(26)10-18(27)22-11-14-7-5-4-6-8-14/h4-8,12-13,15,17,19,26,28H,9-11H2,1-3H3,(H,22,27)(H,23,29)(H,24,25)/t15-,17+,19+/m0/s1