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126712-17-2 | L-Tyrosinamide, L-valyl-, monohydrochloride (9CI)
CAS No: 126712-17-2 Catalog No: AG000T4D MDL No:
Product Description
Catalog Number:
AG000T4D
Chemical Name:
L-Tyrosinamide, L-valyl-, monohydrochloride (9CI)
CAS Number:
126712-17-2
Molecular Formula:
C14H22ClN3O3
Molecular Weight:
315.7958
IUPAC Name:
(2S)-2-amino-N-[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-3-methylbutanamide;hydrochloride
InChI:
InChI=1S/C14H21N3O3.ClH/c1-8(2)12(15)14(20)17-11(13(16)19)7-9-3-5-10(18)6-4-9;/h3-6,8,11-12,18H,7,15H2,1-2H3,(H2,16,19)(H,17,20);1H/t11-,12-;/m0./s1
InChI Key:
JOFIBNRLJULPTC-FXMYHANSSA-N
SMILES:
N[C@H](C(=O)N[C@H](C(=O)N)Cc1ccc(cc1)O)C(C)C.Cl
Properties
Complexity:
339
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
315.135g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
315.798g/mol
Monoisotopic Mass:
315.135g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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