N-[(1S,2R,3R,5S)-5-[[(2S)-1-azanyl-3-(4-methoxyphenyl)-1-oxidanylidene-propan-2-yl]carbamoyl]-2,3,5-tris(oxidanyl)cyclohexyl]-4-methoxy-benzamide

Systemtic Name: N-[(1S,2R,3R,5S)-5-[[(2S)-1-azanyl-3-(4-methoxyphenyl)-1-oxidanylidene-propan-2-yl]carbamoyl]-2,3,5-tris(oxidanyl)cyclohexyl]-4-methoxy-benzamide Openeye Name: N-[(1S,2R,3R,5S)-5-[[(1S)-2-amino-1-[(4-methoxyphenyl)methyl]-2-oxo-ethyl]carbamoyl]-2,3,5-trihydroxy-cyclohexyl]-4-methoxy-benzamide CAS Name: N-[(1S,2R,3R,5S)-5-[[[(2S)-1-amino-3-(4-methoxyphenyl)-1-oxopropan-2-yl]amino]-oxomethyl]-2,3,5-trihydroxycyclohexyl]-4-methoxybenzamide IUPAC Name: N-[(1S,2R,3R,5S)-5-[[(2S)-1-amino-3-(4-methoxyphenyl)-1-oxopropan-2-yl]carbamoyl]-2,3,5-trihydroxycyclohexyl]-4-methoxybenzamide Traditional Name: N-[(1S,2R,3R,5S)-5-[[(1S)-2-amino-2-keto-1-p-anisyl-ethyl]carbamoyl]-2,3,5-trihydroxy-cyclohexyl]-4-methoxy-benzamide Formula: C25H31N3O8 MolecularWeight: 501.52894

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC(C(=O)N)NC(=O)C2(CC(C(C(C2)O)O)NC(=O)C3=CC=C(C=C3)OC)O

Isomeric SMILES

COC1=CC=C(C=C1)C[C@@H](C(=O)N)NC(=O)[C@@]2(C[C@@H]([C@H]([C@@H](C2)O)O)NC(=O)C3=CC=C(C=C3)OC)O

InChI

InChI=1S/C25H31N3O8/c1-35-16-7-3-14(4-8-16)11-18(22(26)31)28-24(33)25(34)12-19(21(30)20(29)13-25)27-23(32)15-5-9-17(36-2)10-6-15/h3-10,18-21,29-30,34H,11-13H2,1-2H3,(H2,26,31)(H,27,32)(H,28,33)/t18-,19-,20+,21+,25-/m0/s1