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138810-52-3 | L-Phenylalaninamide, L-alanyl-N-(5-amino-7-chloro-6-oxoheptyl)-, (S)- (9CI)
CAS No: 138810-52-3 Catalog No: AG0019MF MDL No:
Product Description
Catalog Number:
AG0019MF
Chemical Name:
L-Phenylalaninamide, L-alanyl-N-(5-amino-7-chloro-6-oxoheptyl)-, (S)- (9CI)
CAS Number:
138810-52-3
Molecular Formula:
C19H29ClN4O3
Molecular Weight:
396.9116
IUPAC Name:
N-(5-amino-7-chloro-6-oxoheptyl)-2-(2-aminopropanoylamino)-3-phenylpropanamide
InChI:
InChI=1S/C19H29ClN4O3/c1-13(21)18(26)24-16(11-14-7-3-2-4-8-14)19(27)23-10-6-5-9-15(22)17(25)12-20/h2-4,7-8,13,15-16H,5-6,9-12,21-22H2,1H3,(H,23,27)(H,24,26)
InChI Key:
KBGHGPDVJJCONJ-UHFFFAOYSA-N
SMILES:
ClCC(=O)C(CCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)C)N
Properties
Complexity:
484
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
396.193g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
396.916g/mol
Monoisotopic Mass:
396.193g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
127A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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