[(2R,3R,4S,5S,6S)-6-methoxy-3,4,5-trisulfooxy-oxan-2-yl]methyl 2-[[2-(cyclohexylamino)-2-oxidanylidene-ethyl]-(phenylcarbonyl)amino]ethanoate

Systemtic Name: [(2R,3R,4S,5S,6S)-6-methoxy-3,4,5-trisulfooxy-oxan-2-yl]methyl 2-[[2-(cyclohexylamino)-2-oxidanylidene-ethyl]-(phenylcarbonyl)amino]ethanoate Openeye Name: [(2R,3R,4S,5S,6S)-6-methoxy-3,4,5-trisulfooxy-tetrahydropyran-2-yl]methyl 2-[benzoyl-[2-(cyclohexylamino)-2-oxo-ethyl]amino]acetate CAS Name: 2-[benzoyl-[2-(cyclohexylamino)-2-oxoethyl]amino]acetic acid [(2R,3R,4S,5S,6S)-6-methoxy-3,4,5-trisulfooxy-2-oxanyl]methyl ester IUPAC Name: [(2R,3R,4S,5S,6S)-6-methoxy-3,4,5-trisulfooxyoxan-2-yl]methyl 2-[benzoyl-[2-(cyclohexylamino)-2-oxoethyl]amino]acetate Traditional Name: 2-[benzoyl-[2-(cyclohexylamino)-2-keto-ethyl]amino]acetic acid [(2R,3R,4S,5S,6S)-6-methoxy-3,4,5-trisulfoxy-tetrahydropyran-2-yl]methyl ester Formula: C24H34N2O18S3 MolecularWeight: 734.72436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1C(C(C(C(O1)COC(=O)CN(CC(=O)NC2CCCCC2)C(=O)C3=CC=CC=C3)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O

Isomeric SMILES

CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)COC(=O)CN(CC(=O)NC2CCCCC2)C(=O)C3=CC=CC=C3)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O

InChI

InChI=1S/C24H34N2O18S3/c1-39-24-22(44-47(36,37)38)21(43-46(33,34)35)20(42-45(30,31)32)17(41-24)14-40-19(28)13-26(23(29)15-8-4-2-5-9-15)12-18(27)25-16-10-6-3-7-11-16/h2,4-5,8-9,16-17,20-22,24H,3,6-7,10-14H2,1H3,(H,25,27)(H,30,31,32)(H,33,34,35)(H,36,37,38)/t17-,20-,21+,22+,24+/m1/s1