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666703-13-5 | L-Leucine, glycylglycyl-2-iodo-L-phenylalanyl-
CAS No: 666703-13-5 Catalog No: AG00H7MT MDL No:
Product Description
Catalog Number:
AG00H7MT
Chemical Name:
L-Leucine, glycylglycyl-2-iodo-L-phenylalanyl-
CAS Number:
666703-13-5
Molecular Formula:
C19H27IN4O5
Molecular Weight:
518.3459
IUPAC Name:
(2S)-2-[[(2S)-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-(2-iodophenyl)propanoyl]amino]-4-methylpentanoic acid
InChI:
InChI=1S/C19H27IN4O5/c1-11(2)7-15(19(28)29)24-18(27)14(8-12-5-3-4-6-13(12)20)23-17(26)10-22-16(25)9-21/h3-6,11,14-15H,7-10,21H2,1-2H3,(H,22,25)(H,23,26)(H,24,27)(H,28,29)/t14-,15-/m0/s1
InChI Key:
YVVPQURQECYFQM-GJZGRUSLSA-N
SMILES:
NCC(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC(C)C)Cc1ccccc1I
Properties
Complexity:
587
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
518.103g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
518.352g/mol
Monoisotopic Mass:
518.103g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
151A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.3
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