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1041389-28-9 | Nelfinavir Related Compound A (15 mg) ((3S,4aS,8aS)-N-tert-Butyl-2-[(2R,3R)-2-hydroxy-3-(3-hydroxy-2-methylbenzamido)-4-(phenylsulfinyl)butyl]decahydroisoquinoline-3-carboxamide)
CAS No: 1041389-28-9 Catalog No: AG008W8T MDL No:
Product Description
Catalog Number:
AG008W8T
Chemical Name:
Nelfinavir Related Compound A (15 mg) ((3S,4aS,8aS)-N-tert-Butyl-2-[(2R,3R)-2-hydroxy-3-(3-hydroxy-2-methylbenzamido)-4-(phenylsulfinyl)butyl]decahydroisoquinoline-3-carboxamide)
CAS Number:
1041389-28-9
IUPAC Name:
(3S,4aS,8aS)-2-[(2R,3R)-4-(benzenesulfinyl)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]butyl]-N-tert-butyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide
InChI:
InChI=1S/C32H45N3O5S/c1-21-25(15-10-16-28(21)36)30(38)33-26(20-41(40)24-13-6-5-7-14-24)29(37)19-35-18-23-12-9-8-11-22(23)17-27(35)31(39)34-32(2,3)4/h5-7,10,13-16,22-23,26-27,29,36-37H,8-9,11-12,17-20H2,1-4H3,(H,33,38)(H,34,39)/t22-,23+,26-,27-,29+,41?/m0/s1
InChI Key:
RSOLVRGGAAUFHC-VSAYVLMCSA-N
Properties
Complexity:
904
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
583.308g/mol
Formal Charge:
0
Heavy Atom Count:
41
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
583.788g/mol
Monoisotopic Mass:
583.308g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
138A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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