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138168-48-6 | L-Leucine, L-tyrosyl-L-seryl-
CAS No: 138168-48-6 Catalog No: AG00184A MDL No:
Product Description
Catalog Number:
AG00184A
Chemical Name:
L-Leucine, L-tyrosyl-L-seryl-
CAS Number:
138168-48-6
Molecular Formula:
C18H27N3O6
Molecular Weight:
381.4235
IUPAC Name:
(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoic acid
InChI:
InChI=1S/C18H27N3O6/c1-10(2)7-14(18(26)27)20-17(25)15(9-22)21-16(24)13(19)8-11-3-5-12(23)6-4-11/h3-6,10,13-15,22-23H,7-9,19H2,1-2H3,(H,20,25)(H,21,24)(H,26,27)/t13-,14-,15-/m0/s1
InChI Key:
MQGGXGKQSVEQHR-KKUMJFAQSA-N
SMILES:
OC[C@@H](C(=O)N[C@H](C(=O)O)CC(C)C)NC(=O)[C@H](Cc1ccc(cc1)O)N
UNII:
L9TIM50J8N
Properties
Complexity:
505
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
381.19g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
381.429g/mol
Monoisotopic Mass:
381.19g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
162A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.1
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