[(2S)-1-[[1-[[(2S,3R,4R,5R,6R)-1-cyclohexyl-3,4,5,6,7-pentakis(oxidanyl)heptan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl] N-methyl-N-[2-[methyl(morpholin-4-ylcarbonyl)amino]ethyl]carbamate

Systemtic Name: [(2S)-1-[[1-[[(2S,3R,4R,5R,6R)-1-cyclohexyl-3,4,5,6,7-pentakis(oxidanyl)heptan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl] N-methyl-N-[2-[methyl(morpholin-4-ylcarbonyl)amino]ethyl]carbamate Openeye Name: [(1S)-1-benzyl-2-[[2-[[(1S,2R,3R,4R,5R)-1-(cyclohexylmethyl)-2,3,4,5,6-pentahydroxy-hexyl]amino]-1-(1H-imidazol-5-ylmethyl)-2-oxo-ethyl]amino]-2-oxo-ethyl] N-methyl-N-[2-[methyl(morpholine-4-carbonyl)amino]ethyl]carbamate CAS Name: N-methyl-N-[2-[methyl-[4-morpholinyl(oxo)methyl]amino]ethyl]carbamic acid [(2S)-1-[[1-[[(2S,3R,4R,5R,6R)-1-cyclohexyl-3,4,5,6,7-pentahydroxyheptan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl] ester IUPAC Name: [(2S)-1-[[1-[[(2S,3R,4R,5R,6R)-1-cyclohexyl-3,4,5,6,7-pentahydroxyheptan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl] N-methyl-N-[2-[methyl(morpholine-4-carbonyl)amino]ethyl]carbamate Traditional Name: N-methyl-N-[2-[methyl(morpholine-4-carbonyl)amino]ethyl]carbamic acid [(1S)-1-benzyl-2-[[2-[[(1S,2R,3R,4R,5R)-1-(cyclohexylmethyl)-2,3,4,5,6-pentahydroxy-hexyl]amino]-1-(1H-imidazol-5-ylmethyl)-2-keto-ethyl]amino]-2-keto-ethyl] ester Formula: C38H59N7O11 MolecularWeight: 789.91536

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CCN(C)C(=O)OC(CC1=CC=CC=C1)C(=O)NC(CC2=CN=CN2)C(=O)NC(CC3CCCCC3)C(C(C(C(CO)O)O)O)O)C(=O)N4CCOCC4

Isomeric SMILES

CN(CCN(C)C(=O)O[C@@H](CC1=CC=CC=C1)C(=O)NC(CC2=CN=CN2)C(=O)N[C@@H](CC3CCCCC3)[C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)C(=O)N4CCOCC4

InChI

InChI=1S/C38H59N7O11/c1-43(37(53)45-15-17-55-18-16-45)13-14-44(2)38(54)56-31(20-26-11-7-4-8-12-26)36(52)42-29(21-27-22-39-24-40-27)35(51)41-28(19-25-9-5-3-6-10-25)32(48)34(50)33(49)30(47)23-46/h4,7-8,11-12,22,24-25,28-34,46-50H,3,5-6,9-10,13-21,23H2,1-2H3,(H,39,40)(H,41,51)(H,42,52)/t28-,29?,30+,31-,32+,33+,34+/m0/s1