4-azanyl-N-[(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]cyclohexane-1-carboxamide

Systemtic Name: 4-azanyl-N-[(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]cyclohexane-1-carboxamide Openeye Name: 4-amino-N-[(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]cyclohexanecarboxamide CAS Name: 4-amino-N-[(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]-1-cyclohexanecarboxamide IUPAC Name: 4-amino-N-[(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]cyclohexane-1-carboxamide Traditional Name: 4-amino-N-[(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]cyclohexanecarboxamide Formula: C35H54N6O8 MolecularWeight: 686.83866

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(C(C(C(C(CO)O)O)O)O)NC(=O)C(CC2=CN=CN2)NC(=O)C(CC3=CC=CC=C3)NC(=O)C4CCC(CC4)N

Isomeric SMILES

C1CCC(CC1)C[C@@H]([C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)NC(=O)C(CC2=CN=CN2)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)C4CCC(CC4)N

InChI

InChI=1S/C35H54N6O8/c36-24-13-11-23(12-14-24)33(47)40-27(16-22-9-5-2-6-10-22)34(48)41-28(17-25-18-37-20-38-25)35(49)39-26(15-21-7-3-1-4-8-21)30(44)32(46)31(45)29(43)19-42/h2,5-6,9-10,18,20-21,23-24,26-32,42-46H,1,3-4,7-8,11-17,19,36H2,(H,37,38)(H,39,49)(H,40,47)(H,41,48)/t23?,24?,26-,27-,28?,29+,30+,31+,32+/m0/s1