methyl 4-[[(2S,3S,5S)-8-cyclohexyl-5-(oxan-4-ylcarbonylamino)-3-oxidanyl-1-phenyl-octan-2-yl]amino]-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[[(2S,3S,5S)-8-cyclohexyl-5-(oxan-4-ylcarbonylamino)-3-oxidanyl-1-phenyl-octan-2-yl]amino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[[(1S,2S,4S)-1-benzyl-7-cyclohexyl-2-hydroxy-4-(tetrahydropyran-4-carbonylamino)heptyl]amino]-4-oxo-butanoate CAS Name: 4-[[(2S,3S,5S)-8-cyclohexyl-3-hydroxy-5-[[4-oxanyl(oxo)methyl]amino]-1-phenyloctan-2-yl]amino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[[(2S,3S,5S)-8-cyclohexyl-3-hydroxy-5-(oxane-4-carbonylamino)-1-phenyloctan-2-yl]amino]-4-oxobutanoate Traditional Name: 4-[[(1S,2S,4S)-1-benzyl-7-cyclohexyl-2-hydroxy-4-(tetrahydropyran-4-carbonylamino)heptyl]amino]-4-keto-butyric acid methyl ester Formula: C31H48N2O6 MolecularWeight: 544.72262

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(=O)NC(CC1=CC=CC=C1)C(CC(CCCC2CCCCC2)NC(=O)C3CCOCC3)O

Isomeric SMILES

COC(=O)CCC(=O)N[C@@H](CC1=CC=CC=C1)[C@H](C[C@H](CCCC2CCCCC2)NC(=O)C3CCOCC3)O

InChI

InChI=1S/C31H48N2O6/c1-38-30(36)16-15-29(35)33-27(21-24-11-6-3-7-12-24)28(34)22-26(14-8-13-23-9-4-2-5-10-23)32-31(37)25-17-19-39-20-18-25/h3,6-7,11-12,23,25-28,34H,2,4-5,8-10,13-22H2,1H3,(H,32,37)(H,33,35)/t26-,27-,28-/m0/s1