A-80987

Category	HIV Protease
CAS	144141-97-9

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Product Information

Synonyms	144141-97-9;A-80987;A 80987;2-Oxa-4,7,12-triazatridecan-13-oic acid, 9-hydroxy-5-(1-methylethyl)-3,6-dioxo-8,11-bis(phenylmethyl)-1-(2-pyridinyl)-, 3-pyridinylmethyl ester, (5S,8S,9S,11S)-;UNII-145DTK1W1Y;145DTK1W1Y;Ro-32-2175;pyridin-2-ylmethyl N-[(2S)-1-[[(2S,3S,5S)-3-hydroxy-1,6-diphenyl-5-(pyridin-3-ylmethoxycarbonylamino)hexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate;12-OXA-2,7,10-TRIAZATRIDECANOIC ACID, 5-HYDROXY-9-(1-METHYLETHYL)-8,11-DIOXO-3,6-BIS(PHENYLMETHYL)-13-(2-PYRIDINYL)-, 3-PYRIDINYLMETHYL ESTER, (3S,5S,6S,9S)-;SCHEMBL2771252;CHEBI:80009;DTXSID10162623;AKOS040747680;HY-19194;CS-0014936;Q27149156;2-OXA-4,7,12-TRIAZATRIDECAN-13-OIC ACID, 9-HYDROXY-5-(1-METHYLETHYL)-3,6-DIOXO-8,11-BIS(PHENYLMETHYL)-1-(2-PYRIDINYL)-, 3-PYRIDINYLMETHYL ESTER, (5S-(5R,8R,9R,11R))-;3-pyridylmethyl N-[(1S,3S,4S)-1-benzyl-3-hydroxy-4-[[(2S)-3-methyl-2-(2-pyridylmethoxycarbonylamino)butanoyl]amino]-5-phenyl-pentyl]carbamate;9-HYDROXY-5-(1-METHYLETHYL)-3,6-DIOXO-8,11-BIS(PHENYLMETHYL)-1-(2-PYRIDINYL)-2-OXA-4,7,12-TRIAZATRIDECAN-13-OIC ACID, 3-PYRIDINYLMETHYL ESTER(5S-(5R,8R,9R,11R));pyridin-3-ylmethyl N-[(2S,4S,5S)-4-hydroxy-5-[[(2S)-3-methyl-2-(pyridi n-2-ylmethoxycarbonylamino)butanoyl]amino]-1,6-diphenyl-hexan-2-yl]car bamate;
IUPAC Name	pyridin-2-ylmethyl N-[(2S)-1-[[(2S,3S,5S)-3-hydroxy-1,6-diphenyl-5-(pyridin-3-ylmethoxycarbonylamino)hexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
Molecular Weight	653.77
Molecular Formula	C37H43N5O6
Canonical SMILES	O=C(OCC1=CC=CN=C1)N[C@@H](CC2=CC=CC=C2)C[C@H](O)[C@H](CC3=CC=CC=C3)NC([C@H](C(C)C)NC(OCC4=NC=CC=C4)=O)=O
InChI	InChI=1S/C37H43N5O6/c1-26(2)34(42-37(46)48-25-30-17-9-10-19-39-30)35(44)41-32(21-28-14-7-4-8-15-28)33(43)22-31(20-27-12-5-3-6-13-27)40-36(45)47-24-29-16-11-18-38-23-29/h3-19,23,26,31-34,43H,20-22,24-25H2,1-2H3,(H,40,45)(H,41,44)(H,42,46)/t31-,32-,33-,34-/m0/s1
InChIKey	SSIBMWPFXYSVEK-CUPIEXAXSA-N
Storage	Please store the product under the recommended conditions in the Certificate of Analysis.