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1784-03-8

1784-03-8 | L-Arginine, N2-[(4-methylphenyl)sulfonyl]-, methyl ester, hydrochloride (1:1)

CAS No: 1784-03-8 Catalog No: AG0025ZQ MDL No:MFCD00012578

Product Description

Catalog Number:
AG0025ZQ
Chemical Name:
L-Arginine, N2-[(4-methylphenyl)sulfonyl]-, methyl ester, hydrochloride (1:1)
CAS Number:
1784-03-8
Molecular Formula:
C14H23ClN4O4S
Molecular Weight:
378.8748
MDL Number:
MFCD00012578
IUPAC Name:
methyl (2S)-5-(diaminomethylideneamino)-2-[(4-methylphenyl)sulfonylamino]pentanoate;hydrochloride
InChI:
InChI=1S/C14H22N4O4S.ClH/c1-10-5-7-11(8-6-10)23(20,21)18-12(13(19)22-2)4-3-9-17-14(15)16;/h5-8,12,18H,3-4,9H2,1-2H3,(H4,15,16,17);1H/t12-;/m0./s1
InChI Key:
JIQFFACVQXXHMY-YDALLXLXSA-N
SMILES:
COC(=O)[C@@H](NS(=O)(=O)c1ccc(cc1)C)CCCNC(=N)N.Cl
EC Number:
217-235-1

Properties

Complexity:
503  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
378.113g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
378.872g/mol
Monoisotopic Mass:
378.113g/mol
Rotatable Bond Count:
9  
Topological Polar Surface Area:
145A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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