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138191-84-1 | L-Tyrosine, N-L-arginyl-3-iodo- (9CI)
CAS No: 138191-84-1 Catalog No: AG00185H MDL No:
Product Description
Catalog Number:
AG00185H
Chemical Name:
L-Tyrosine, N-L-arginyl-3-iodo- (9CI)
CAS Number:
138191-84-1
Molecular Formula:
C15H22IN5O4
Molecular Weight:
463.2707
IUPAC Name:
2-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-(4-hydroxy-3-iodophenyl)propanoic acid
InChI:
InChI=1S/C15H22IN5O4/c16-9-6-8(3-4-12(9)22)7-11(14(24)25)21-13(23)10(17)2-1-5-20-15(18)19/h3-4,6,10-11,22H,1-2,5,7,17H2,(H,21,23)(H,24,25)(H4,18,19,20)
InChI Key:
YPLDVSOLBNBKIM-UHFFFAOYSA-N
SMILES:
NC(=N)NCCC[C@@H](C(=O)N[C@H](C(=O)O)Cc1ccc(c(c1)I)O)N
Properties
Complexity:
487
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
463.072g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
463.276g/mol
Monoisotopic Mass:
463.072g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
177A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.6
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