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114577-09-2 | L-Alaninamide, L-prolyl-L-lysyl-N-(4-methoxy-2-naphthalenyl)- (9CI)
CAS No: 114577-09-2 Catalog No: AG000EQD MDL No:
Product Description
Catalog Number:
AG000EQD
Chemical Name:
L-Alaninamide, L-prolyl-L-lysyl-N-(4-methoxy-2-naphthalenyl)- (9CI)
CAS Number:
114577-09-2
Molecular Formula:
C25H35N5O4
Molecular Weight:
469.5765
IUPAC Name:
N-[6-amino-1-[[1-[(4-methoxynaphthalen-2-yl)amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]pyrrolidine-2-carboxamide
InChI:
InChI=1S/C25H35N5O4/c1-16(23(31)29-18-14-17-8-3-4-9-19(17)22(15-18)34-2)28-25(33)21(10-5-6-12-26)30-24(32)20-11-7-13-27-20/h3-4,8-9,14-16,20-21,27H,5-7,10-13,26H2,1-2H3,(H,28,33)(H,29,31)(H,30,32)
InChI Key:
GLQDYUMBRQNNED-UHFFFAOYSA-N
SMILES:
NCCCC[C@@H](C(=O)N[C@H](C(=O)Nc1cc(OC)c2c(c1)cccc2)C)NC(=O)[C@@H]1CCCN1
Properties
Complexity:
690
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
469.269g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
469.586g/mol
Monoisotopic Mass:
469.269g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
135A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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