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138250-23-4 | L-Phenylalaninamide, L-lysyl-4-nitro-L-phenylalanyl-L-alanyl- (9CI)
CAS No: 138250-23-4 Catalog No: AG0018EB MDL No:
Product Description
Catalog Number:
AG0018EB
Chemical Name:
L-Phenylalaninamide, L-lysyl-4-nitro-L-phenylalanyl-L-alanyl- (9CI)
CAS Number:
138250-23-4
Molecular Formula:
C27H37N7O6
Molecular Weight:
555.6260
IUPAC Name:
2,6-diamino-N-[1-[[1-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-1-oxopropan-2-yl]amino]-3-(4-nitrophenyl)-1-oxopropan-2-yl]hexanamide
InChI:
InChI=1S/C27H37N7O6/c1-17(25(36)32-22(24(30)35)15-18-7-3-2-4-8-18)31-27(38)23(33-26(37)21(29)9-5-6-14-28)16-19-10-12-20(13-11-19)34(39)40/h2-4,7-8,10-13,17,21-23H,5-6,9,14-16,28-29H2,1H3,(H2,30,35)(H,31,38)(H,32,36)(H,33,37)
InChI Key:
RZXWUPLHWKYYQD-UHFFFAOYSA-N
SMILES:
NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)Cc1ccccc1)C)Cc1ccc(cc1)[N+](=O)[O-])N
Properties
Complexity:
853
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
555.281g/mol
Formal Charge:
0
Heavy Atom Count:
40
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
555.636g/mol
Monoisotopic Mass:
555.281g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
228A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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