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

Systemtic Name: methyl 4-[[(2S,3S,5R)-5-cyclohexyl-5-(oxan-4-ylcarbonylamino)-3-oxidanyl-1-phenyl-pentan-2-yl]amino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[[(1S,2S,4R)-1-benzyl-4-cyclohexyl-2-hydroxy-4-(tetrahydropyran-4-carbonylamino)butyl]amino]-4-oxo-butanoate CAS Name: 4-[[(2S,3S,5R)-5-cyclohexyl-3-hydroxy-5-[[4-oxanyl(oxo)methyl]amino]-1-phenylpentan-2-yl]amino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[[(2S,3S,5R)-5-cyclohexyl-3-hydroxy-5-(oxane-4-carbonylamino)-1-phenylpentan-2-yl]amino]-4-oxobutanoate Traditional Name: 4-[[(1S,2S,4R)-1-benzyl-4-cyclohexyl-2-hydroxy-4-(tetrahydropyran-4-carbonylamino)butyl]amino]-4-keto-butyric acid methyl ester Formula: C28H42N2O6 MolecularWeight: 502.64288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(=O)NC(CC1=CC=CC=C1)C(CC(C2CCCCC2)NC(=O)C3CCOCC3)O

Isomeric SMILES

COC(=O)CCC(=O)N[C@@H](CC1=CC=CC=C1)[C@H](C[C@H](C2CCCCC2)NC(=O)C3CCOCC3)O

InChI

InChI=1S/C28H42N2O6/c1-35-27(33)13-12-26(32)29-24(18-20-8-4-2-5-9-20)25(31)19-23(21-10-6-3-7-11-21)30-28(34)22-14-16-36-17-15-22/h2,4-5,8-9,21-25,31H,3,6-7,10-19H2,1H3,(H,29,32)(H,30,34)/t23-,24+,25+/m1/s1