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141890-58-6 | L-Argininamide, L-isoleucyl-L-methionyl-L-seryl- (9CI)
CAS No: 141890-58-6 Catalog No: AG001HBG MDL No:
Product Description
Catalog Number:
AG001HBG
Chemical Name:
L-Argininamide, L-isoleucyl-L-methionyl-L-seryl- (9CI)
CAS Number:
141890-58-6
Molecular Formula:
C20H40N8O5S
Molecular Weight:
504.6472
IUPAC Name:
2-amino-N-[1-[[1-[[1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]-3-methylpentanamide
InChI:
InChI=1S/C20H40N8O5S/c1-4-11(2)15(21)19(33)27-13(7-9-34-3)17(31)28-14(10-29)18(32)26-12(16(22)30)6-5-8-25-20(23)24/h11-15,29H,4-10,21H2,1-3H3,(H2,22,30)(H,26,32)(H,27,33)(H,28,31)(H4,23,24,25)
InChI Key:
KWEBQILTSLARGO-UHFFFAOYSA-N
SMILES:
CSCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)CCCNC(=N)N)CO)NC(=O)[C@H]([C@H](CC)C)N
Properties
Complexity:
705
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
504.284g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
8
Isotope Atom Count:
0
Molecular Weight:
504.651g/mol
Monoisotopic Mass:
504.284g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
266A^2
Undefined Atom Stereocenter Count:
5
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.8
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