Fosamprenavir calcium

C₂₅H₃₄CaN₃O₉PSCAS 226700-81-8623.67 g/mol

Open in Covalent MOL file

Ether Phosphate Primary amine Sulfonamide

Properties

Molecular formula: C₂₅H₃₄CaN₃O₉PS
Molar mass: 623.67 g/mol
Exact mass: 623.1379 Da
logP: 2.34Crippen estimate
Polar surface area: 181.2 Å²
H-bond donors / acceptors: 4 / 8
Rotatable bonds: 13
Stereocentres: R, S, Sin SMILES atom order

Identifiers

CAS number

226700-81-8

SMILES

CC(C)CN(C[C@@H](OP([O-])([O-])=O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1)S(=O)(=O)c1ccc(N)cc1.[Ca+2]

InChIKey

XOGQXKBFJZURRD-HQROKSDRSA-N

InChI

InChI=1S/C25H36N3O9PS.Ca/c1-18(2)15-28(39(33,34)22-10-8-20(26)9-11-22)16-24(37-38(30,31)32)23(14-19-6-4-3-5-7-19)27-25(29)36-21-12-13-35-17-21;/h3-11,18,21,23-24H,12-17,26H2,1-2H3,(H,27,29)(H2,30,31,32);/t21-,23-,24+;/m0./s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names

Carbamic acid, N-[(1S,2R)-3-[[(4-aminophenyl)sulfonyl](2-methylpropyl)amino]-1-(phenylmethyl)-2-(phosphonooxy)propyl]-, (3S)-tetrahydro-3-furanyl ester, calcium salt (1:1)
Carbamic acid, [(1S,2R)-3-[[(4-aminophenyl)sulfonyl](2-methylpropyl)amino]-1-(phenylmethyl)-2-(phosphonooxy)propyl]-, C-[(3S)-tetrahydro-3-furanyl] ester, calcium salt (1:1)
GW 433908G
Lexiva
Telzir

Work with Fosamprenavir calcium

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Fosamprenavir226700-79-458 % similar Amprenavir161814-49-953 % similar 4-Amino-N-((2R,3S)-3-amino-2-hydroxy-4-phenylbutyl)-N-isobutylbenzenesulfonamide169280-56-242 % similar Darunavir206361-99-142 % similar tert-Butyl [(1S,2R)-1-benzyl-2-hydroxy-3-[isobutyl[(4-nitrophenyl)sulfonyl]amino]propyl]carbamate191226-98-932 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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