Structure

Enalkiren

CAS
113082-98-7
Catalog Number
ACM113082987
Category
Other Products
Molecular Weight
656.86
Molecular Formula
C35H56N6O6

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Specification

Synonyms
N-(3-Amino-3-methyl-1-oxobutyl)-O-methyl-L-tyrosyl-N-[(1S,2R,3S)-1-(cyclohexylmethyl)-2,3-dihydroxy-5-methylhexyl]-L-histidinamide; [1S-(1R*,2S*,3R*)]-N-(3-Amino
-3-methyl-1-oxobutyl)-O-methyl-L-tyrosyl-N-[1-(cyclohexylmethyl)-2,3-dihydroxy-5-methylhexyl]-L-histidinamide;
IUPAC Name
3-amino-N-[(2S)-1-[[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-3-methylbutanamide
Canonical SMILES
CC(C)CC(C(C(CC1CCCCC1)NC(=O)C(CC2=CN=CN2)NC(=O)C(CC3=CC=C(C=C3)OC)NC(=O)CC(C)(C)N)O)O
InChI Key
KQXVERRYBYGQJZ-WRPDIKACSA-N
Boiling Point
986.3ºC at 760mmHg
Flash Point
550.3ºC
Density
1.172g/cm³
Exact Mass
656.42600
H-Bond Acceptor
8
H-Bond Donor
7
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