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

Systemtic Name: methyl 4-[[(2S,3S,5S)-8-methyl-5-(oxan-4-ylcarbonylamino)-3-oxidanyl-1-phenyl-nonan-2-yl]amino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[[(1S,2S,4S)-1-benzyl-2-hydroxy-7-methyl-4-(tetrahydropyran-4-carbonylamino)octyl]amino]-4-oxo-butanoate CAS Name: 4-[[(2S,3S,5S)-3-hydroxy-8-methyl-5-[[4-oxanyl(oxo)methyl]amino]-1-phenylnonan-2-yl]amino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[[(2S,3S,5S)-3-hydroxy-8-methyl-5-(oxane-4-carbonylamino)-1-phenylnonan-2-yl]amino]-4-oxobutanoate Traditional Name: 4-[[(1S,2S,4S)-1-benzyl-2-hydroxy-7-methyl-4-(tetrahydropyran-4-carbonylamino)octyl]amino]-4-keto-butyric acid methyl ester Formula: C27H42N2O6 MolecularWeight: 490.63218

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(CC(C(CC1=CC=CC=C1)NC(=O)CCC(=O)OC)O)NC(=O)C2CCOCC2

Isomeric SMILES

CC(C)CC[C@@H](C[C@@H]([C@H](CC1=CC=CC=C1)NC(=O)CCC(=O)OC)O)NC(=O)C2CCOCC2

InChI

InChI=1S/C27H42N2O6/c1-19(2)9-10-22(28-27(33)21-13-15-35-16-14-21)18-24(30)23(17-20-7-5-4-6-8-20)29-25(31)11-12-26(32)34-3/h4-8,19,21-24,30H,9-18H2,1-3H3,(H,28,33)(H,29,31)/t22-,23-,24-/m0/s1