(phenylmethyl) N-[2-[[(2S,3R,4S)-1-(1,2,3,4,5,6-hexatritiocyclohexyl)-6-methyl-3,4-bis(oxidanyl)heptan-2-yl]amino]-2-oxidanylidene-ethyl]carbamate

Systemtic Name: (phenylmethyl) N-[2-[[(2S,3R,4S)-1-(1,2,3,4,5,6-hexatritiocyclohexyl)-6-methyl-3,4-bis(oxidanyl)heptan-2-yl]amino]-2-oxidanylidene-ethyl]carbamate Openeye Name: benzyl N-[2-[[(1S,2R,3S)-1-[(1,2,3,4,5,6-hexatritiocyclohexyl)methyl]-2,3-dihydroxy-5-methyl-hexyl]amino]-2-oxo-ethyl]carbamate CAS Name: N-[2-[[(2S,3R,4S)-1-(1,2,3,4,5,6-hexatritiocyclohexyl)-3,4-dihydroxy-6-methylheptan-2-yl]amino]-2-oxoethyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[2-[[(2S,3R,4S)-1-(1,2,3,4,5,6-hexatritiocyclohexyl)-3,4-dihydroxy-6-methylheptan-2-yl]amino]-2-oxoethyl]carbamate Traditional Name: N-[2-[[(1S,2R,3S)-1-[(1,2,3,4,5,6-hexatritiocyclohexyl)methyl]-2,3-dihydroxy-5-methyl-hexyl]amino]-2-keto-ethyl]carbamic acid benzyl ester Formula: C24H38N2O5 MolecularWeight: 446.617576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(C(CC1CCCCC1)NC(=O)CNC(=O)OCC2=CC=CC=C2)O)O

Isomeric SMILES

[3H]C1C(C(C(C(C1[3H])[3H])([3H])C[C@@H]([C@H]([C@H](CC(C)C)O)O)NC(=O)CNC(=O)OCC2=CC=CC=C2)[3H])[3H]

InChI

InChI=1S/C24H38N2O5/c1-17(2)13-21(27)23(29)20(14-18-9-5-3-6-10-18)26-22(28)15-25-24(30)31-16-19-11-7-4-8-12-19/h4,7-8,11-12,17-18,20-21,23,27,29H,3,5-6,9-10,13-16H2,1-2H3,(H,25,30)(H,26,28)/t20-,21-,23+/m0/s1/i3T,5T,6T,9T,10T,18T/t3?,5?,6?,9?,10?,18?,20-,21-,23+