Ro 31-8588

Category	HIV Protease
CAS	141979-04-6

Quotation Now

Synonyms	Ro 31-8588;141979-04-6;Carbamic acid, (1-(cyclohexylmethyl)-2-hydroxy-5-methyl-4-(((2-methyl-1-(((2-(2-pyridinyl)ethyl)amino)carbonyl)butyl)amino)carbonyl)hexyl)-, 1,1-dimethylethyl ester, (1S-(1R,2R,4S(1R,2R*)))-;Ro-31-8588;DTXSID90931278;5-{[tert-Butoxy(hydroxy)methylidene]amino}-6-cyclohexyl-4-hydroxy-N-(1-hydroxy-3-methyl-1-{[2-(pyridin-2-yl)ethyl]imino}pentan-2-yl)-2-(propan-2-yl)hexanimidic acid;tert-butyl N-[(2S,3S,5R)-1-cyclohexyl-3-hydroxy-6-methyl-5-[[3-methyl-1-oxo-1-(2-pyridin-2-ylethylamino)pentan-2-yl]carbamoyl]heptan-2-yl]carbamate;
IUPAC Name	tert-butyl N-[(2S,3S,5R)-1-cyclohexyl-3-hydroxy-6-methyl-5-[[3-methyl-1-oxo-1-(2-pyridin-2-ylethylamino)pentan-2-yl]carbamoyl]heptan-2-yl]carbamate
Molecular Weight	588.82
Molecular Formula	C33H56N4O5
Canonical SMILES	O=C(OC(C)(C)C)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@@H](C(N[C@H](C(NCCC2=NC=CC=C2)=O)[C@@H](C)CC)=O)C(C)C
InChI	InChI=1S/C33H56N4O5/c1-8-23(4)29(31(40)35-19-17-25-16-12-13-18-34-25)37-30(39)26(22(2)3)21-28(38)27(20-24-14-10-9-11-15-24)36-32(41)42-33(5,6)7/h12-13,16,18,22-24,26-29,38H,8-11,14-15,17,19-21H2,1-7H3,(H,35,40)(H,36,41)(H,37,39)/t23?,26-,27+,28+,29?/m1/s1
InChIKey	PGNGZQQIESIRCV-UQPQYDPKSA-N
Storage	Please store the product under the recommended conditions in the Certificate of Analysis.