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150045-59-3

150045-59-3 | L-Isoleucinamide, N-[(phenylmethoxy)carbonyl]-L-alanyl- (9CI)

CAS No: 150045-59-3 Catalog No: AG001M9O MDL No:

Product Description

Catalog Number:
AG001M9O
Chemical Name:
L-Isoleucinamide, N-[(phenylmethoxy)carbonyl]-L-alanyl- (9CI)
CAS Number:
150045-59-3
Molecular Formula:
C17H25N3O4
Molecular Weight:
335.3981
IUPAC Name:
benzyl N-[1-[(1-amino-3-methyl-1-oxopentan-2-yl)amino]-1-oxopropan-2-yl]carbamate
InChI:
InChI=1S/C17H25N3O4/c1-4-11(2)14(15(18)21)20-16(22)12(3)19-17(23)24-10-13-8-6-5-7-9-13/h5-9,11-12,14H,4,10H2,1-3H3,(H2,18,21)(H,19,23)(H,20,22)
InChI Key:
SDKHBCLWJCHILI-UHFFFAOYSA-N
SMILES:
CC[C@@H]([C@@H](C(=O)N)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C)C

Properties

Complexity:
436  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.185g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
335.404g/mol
Monoisotopic Mass:
335.185g/mol
Rotatable Bond Count:
9  
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
3  
Undefined Bond Stereocenter Count:
0
XLogP3:
1  

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