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119979-70-3 | L-Argininamide, N-acetyl-L-tyrosyl-L-isoleucylglycyl-L-seryl-N-methyl- (9CI)
CAS No: 119979-70-3 Catalog No: AG000PZ5 MDL No:
Product Description
Catalog Number:
AG000PZ5
Chemical Name:
L-Argininamide, N-acetyl-L-tyrosyl-L-isoleucylglycyl-L-seryl-N-methyl- (9CI)
CAS Number:
119979-70-3
Molecular Formula:
C29H47N9O8
Molecular Weight:
649.7390
IUPAC Name:
2-[[2-acetamido-3-(4-hydroxyphenyl)propanoyl]amino]-N-[2-[[1-[[5-(diaminomethylideneamino)-1-(methylamino)-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]-3-methylpentanamide
InChI:
InChI=1S/C29H47N9O8/c1-5-16(2)24(38-26(44)21(35-17(3)40)13-18-8-10-19(41)11-9-18)28(46)34-14-23(42)36-22(15-39)27(45)37-20(25(43)32-4)7-6-12-33-29(30)31/h8-11,16,20-22,24,39,41H,5-7,12-15H2,1-4H3,(H,32,43)(H,34,46)(H,35,40)(H,36,42)(H,37,45)(H,38,44)(H4,30,31,33)
InChI Key:
LHPLAPPWTKZOMC-UHFFFAOYSA-N
SMILES:
OC[C@@H](C(=O)N[C@H](C(=O)NC)CCCNC(=N)N)NC(=O)CNC(=O)[C@H]([C@H](CC)C)NC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)C
Properties
Complexity:
1060
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
649.355g/mol
Formal Charge:
0
Heavy Atom Count:
46
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
10
Isotope Atom Count:
0
Molecular Weight:
649.75g/mol
Monoisotopic Mass:
649.355g/mol
Rotatable Bond Count:
19
Topological Polar Surface Area:
280A^2
Undefined Atom Stereocenter Count:
5
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.8
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