(2S,3R)-2-[(2S)-2-[[(2S)-5-cyclohexyloxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxidanylidene-pentanoyl]amino]-3-methyl-3-oxidanyl-butanoyl]oxy-3-methyl-pentanoic acid

Systemtic Name: (2S,3R)-2-[(2S)-2-[[(2S)-5-cyclohexyloxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxidanylidene-pentanoyl]amino]-3-methyl-3-oxidanyl-butanoyl]oxy-3-methyl-pentanoic acid Openeye Name: (2S,3R)-2-[(2S)-2-[[(2S)-2-(tert-butoxycarbonylamino)-5-(cyclohexoxy)-5-oxo-pentanoyl]amino]-3-hydroxy-3-methyl-butanoyl]oxy-3-methyl-pentanoic acid CAS Name: (2S,3R)-2-[(2S)-2-[[(2S)-5-cyclohexyloxy-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1,5-dioxopentyl]amino]-3-hydroxy-3-methyl-1-oxobutoxy]-3-methylpentanoic acid IUPAC Name: (2S,3R)-2-[(2S)-2-[[(2S)-5-cyclohexyloxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoyl]amino]-3-hydroxy-3-methylbutanoyl]oxy-3-methylpentanoic acid Traditional Name: (2S,3R)-2-[(2S)-2-[[(2S)-2-(tert-butoxycarbonylamino)-5-(cyclohexoxy)-5-keto-pentanoyl]amino]-3-hydroxy-3-methyl-butanoyl]oxy-3-methyl-valeric acid Formula: C27H46N2O10 MolecularWeight: 558.66154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)OC(=O)C(C(C)(C)O)NC(=O)C(CCC(=O)OC1CCCCC1)NC(=O)OC(C)(C)C

Isomeric SMILES

CC[C@@H](C)[C@@H](C(=O)O)OC(=O)[C@H](C(C)(C)O)NC(=O)[C@H](CCC(=O)OC1CCCCC1)NC(=O)OC(C)(C)C

InChI

InChI=1S/C27H46N2O10/c1-8-16(2)20(23(32)33)38-24(34)21(27(6,7)36)29-22(31)18(28-25(35)39-26(3,4)5)14-15-19(30)37-17-12-10-9-11-13-17/h16-18,20-21,36H,8-15H2,1-7H3,(H,28,35)(H,29,31)(H,32,33)/t16-,18+,20+,21-/m1/s1