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144054-63-7 | L-Valinamide, L-isoleucyl-L-lysyl-L-valyl-L-alanyl- (9CI)
CAS No: 144054-63-7 Catalog No: AG001IU9 MDL No:
Product Description
Catalog Number:
AG001IU9
Chemical Name:
L-Valinamide, L-isoleucyl-L-lysyl-L-valyl-L-alanyl- (9CI)
CAS Number:
144054-63-7
Molecular Formula:
C25H49N7O5
Molecular Weight:
527.7005
IUPAC Name:
6-amino-N-[1-[[1-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-2-[(2-amino-3-methylpentanoyl)amino]hexanamide
InChI:
InChI=1S/C25H49N7O5/c1-8-15(6)18(27)24(36)30-17(11-9-10-12-26)23(35)32-20(14(4)5)25(37)29-16(7)22(34)31-19(13(2)3)21(28)33/h13-20H,8-12,26-27H2,1-7H3,(H2,28,33)(H,29,37)(H,30,36)(H,31,34)(H,32,35)
InChI Key:
DBWCVRHPINOYLI-UHFFFAOYSA-N
SMILES:
NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)C(C)C)C)C(C)C)NC(=O)[C@H]([C@H](CC)C)N
Properties
Complexity:
775
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
527.38g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
7
Isotope Atom Count:
0
Molecular Weight:
527.711g/mol
Monoisotopic Mass:
527.38g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
212A^2
Undefined Atom Stereocenter Count:
6
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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