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113502-66-2 | L-Leucinamide, L-phenylalanyl-L-methionyl-L-arginyl- (9CI)
CAS No: 113502-66-2 Catalog No: AG0008ST MDL No:
Product Description
Catalog Number:
AG0008ST
Chemical Name:
L-Leucinamide, L-phenylalanyl-L-methionyl-L-arginyl- (9CI)
CAS Number:
113502-66-2
Molecular Formula:
C26H44N8O4S
Molecular Weight:
564.7438
IUPAC Name:
2-[[2-[[2-[(2-amino-3-phenylpropanoyl)amino]-4-methylsulfanylbutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-methylpentanamide
InChI:
InChI=1S/C26H44N8O4S/c1-16(2)14-21(22(28)35)34-24(37)19(10-7-12-31-26(29)30)33-25(38)20(11-13-39-3)32-23(36)18(27)15-17-8-5-4-6-9-17/h4-6,8-9,16,18-21H,7,10-15,27H2,1-3H3,(H2,28,35)(H,32,36)(H,33,38)(H,34,37)(H4,29,30,31)
InChI Key:
XRZBZTBSEZLUQS-UHFFFAOYSA-N
SMILES:
CSCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)CC(C)C)CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)N
Properties
Complexity:
816
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
564.321g/mol
Formal Charge:
0
Heavy Atom Count:
39
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
7
Isotope Atom Count:
0
Molecular Weight:
564.75g/mol
Monoisotopic Mass:
564.321g/mol
Rotatable Bond Count:
18
Topological Polar Surface Area:
246A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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