Pomotrelvir

Category	SARS-CoV
CAS	2713437-86-4

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Product Information

Synonyms	Pomotrelvir;Pomotrelvir [INN];2713437-86-4;PBI-0451;PBI 0451 [WHO-DD];6XHD59349R;UNII-6XHD59349R;PBI 0451;1H-Indole-2-carboxamide, 7-chloro-N-((1S)-2-(((1S)-1-cyano-2-((3S)-2-oxo-3-piperidinyl)ethyl)amino)-1-(cyclopropylmethyl)-2-oxoethyl)-;7-Chloro-N-((2S)-1-(((1S)-1-cyano-2-((3S)-2-oxopiperidin-3-yl)ethyl)amino)-3-cyclopropyl-1-oxopropan-2-yl)-1H-indole-2-carboxamide;1H-Indole-2-carboxamide, 7-chloro-N-[(1S)-2-[[(1S)-1-cyano-2-[(3S)-2-oxo-3-piperidinyl]ethyl]amino]-1-(cyclopropylmethyl)-2-oxoethyl]-;7-chloro-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-1H-indole-2-carboxamide;POMOTRELVIR [USAN];CHEMBL5314568;SCHEMBL23824257;GTPL12958;PBI0451;BDBM509947;EX-A8669;DA-66822;US11124497, Compound 639 (Isomer 1);7-Chloro-N-((S)-1-(((S)-1-cyano-2-((S)-2-oxopiperidin-3-yl)ethyl)amino)-3-cyclopropyl-1-oxopropan-2-yl)-1H-indole-2-carboxamide;7-chloro-N-[(2S)-1-({(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl}amino)-3- cyclopropyl-1-oxopropan-2-yl]-1H-indole-2-carboxamide;
IUPAC Name	7-chloro-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-1H-indole-2-carboxamide
Molecular Weight	1683.6
Molecular Formula	C58H60N24Na2O22S6
Canonical SMILES	C1=CC(=CC(=C1)S(=O)(=O)N(CC(=O)N)CC(=O)N)NC2=NC(=NC(=N2)NC3=CC(=C(C=C3)C4=C(C=C(C=C4)NC5=NC(=NC(=N5)NC6=CC(=CC=C6)S(=O)(=O)N(CC(=O)N)CC(=O)N)NC7=CC(=CC=C7)S(=O)(=O)N(CC(=O)N)CC(=O)N)S(=O)(=O)[O-])S(=O)(=O)[O-])NC8=CC(=CC=C8)S(=O)(=O)N(CC(=O)N)CC(=O)N.[Na+].[Na+]
InChI	InChI=1S/C23H26ClN5O3/c24-17-5-1-3-14-11-19(28-20(14)17)23(32)29-18(9-13-6-7-13)22(31)27-16(12-25)10-15-4-2-8-26-21(15)30/h1,3,5,11,13,15-16,18,28H,2,4,6-10H2,(H,26,30)(H,27,31)(H,29,32)/t15-,16-,18-/m0/s1
InChIKey	BNMFQWUHWYJTRI-BQFCYCMXSA-N
Appearance	Solid
Storage	4°C, protect from light, stored under nitrogen *In solvent : -80°C, 6 months; -20°C, 1 month (protect from light, stored under nitrogen)