(1S,3S,4R,5R)-N-[(2S)-1-azanyl-3-(4-methoxyphenyl)-1-oxidanylidene-propan-2-yl]-3-[[2,4-bis(fluoranyl)phenyl]carbamoylamino]-1,4,5-tris(oxidanyl)cyclohexane-1-carboxamide

Systemtic Name: (1S,3S,4R,5R)-N-[(2S)-1-azanyl-3-(4-methoxyphenyl)-1-oxidanylidene-propan-2-yl]-3-[[2,4-bis(fluoranyl)phenyl]carbamoylamino]-1,4,5-tris(oxidanyl)cyclohexane-1-carboxamide Openeye Name: (1S,3S,4R,5R)-N-[(1S)-2-amino-1-[(4-methoxyphenyl)methyl]-2-oxo-ethyl]-3-[(2,4-difluorophenyl)carbamoylamino]-1,4,5-trihydroxy-cyclohexanecarboxamide CAS Name: (1S,3S,4R,5R)-N-[(2S)-1-amino-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-3-[[(2,4-difluoroanilino)-oxomethyl]amino]-1,4,5-trihydroxy-1-cyclohexanecarboxamide IUPAC Name: (1S,3S,4R,5R)-N-[(2S)-1-amino-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-3-[(2,4-difluorophenyl)carbamoylamino]-1,4,5-trihydroxycyclohexane-1-carboxamide Traditional Name: (1S,3S,4R,5R)-N-[(1S)-2-amino-2-keto-1-p-anisyl-ethyl]-3-[(2,4-difluorophenyl)carbamoylamino]-1,4,5-trihydroxy-cyclohexanecarboxamide Formula: C24H28F2N4O7 MolecularWeight: 522.498526

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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)NC3=C(C=C(C=C3)F)F)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)NC3=C(C=C(C=C3)F)F)O

InChI

InChI=1S/C24H28F2N4O7/c1-37-14-5-2-12(3-6-14)8-17(21(27)33)28-22(34)24(36)10-18(20(32)19(31)11-24)30-23(35)29-16-7-4-13(25)9-15(16)26/h2-7,9,17-20,31-32,36H,8,10-11H2,1H3,(H2,27,33)(H,28,34)(H2,29,30,35)/t17-,18-,19+,20+,24-/m0/s1