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89762-67-4 | L-Isoleucinamide, N-[[(4-methoxyphenyl)methoxy]carbonyl]-L-leucyl-
CAS No: 89762-67-4 Catalog No: AG00403O MDL No:
Product Description
Catalog Number:
AG00403O
Chemical Name:
L-Isoleucinamide, N-[[(4-methoxyphenyl)methoxy]carbonyl]-L-leucyl-
CAS Number:
89762-67-4
Molecular Formula:
C21H33N3O5
Molecular Weight:
407.5038
IUPAC Name:
(4-methoxyphenyl)methyl N-[1-[(1-amino-3-methyl-1-oxopentan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]carbamate
InChI:
InChI=1S/C21H33N3O5/c1-6-14(4)18(19(22)25)24-20(26)17(11-13(2)3)23-21(27)29-12-15-7-9-16(28-5)10-8-15/h7-10,13-14,17-18H,6,11-12H2,1-5H3,(H2,22,25)(H,23,27)(H,24,26)
InChI Key:
XRMXINDIVNOOSG-UHFFFAOYSA-N
SMILES:
CC[C@@H]([C@@H](C(=O)N)NC(=O)[C@@H](NC(=O)OCc1ccc(cc1)OC)CC(C)C)C
Properties
Complexity:
532
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
407.242g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
407.511g/mol
Monoisotopic Mass:
407.242g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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