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114209-91-5 | L-Proline, 1-[3-[(aminoiminomethyl)thio]-2-methyl-1-oxopropyl]-, (S)- (9CI)
CAS No: 114209-91-5 Catalog No: AG000ATF MDL No:
Product Description
Catalog Number:
AG000ATF
Chemical Name:
L-Proline, 1-[3-[(aminoiminomethyl)thio]-2-methyl-1-oxopropyl]-, (S)- (9CI)
CAS Number:
114209-91-5
Molecular Formula:
C10H17N3O3S
Molecular Weight:
259.3253
IUPAC Name:
1-(3-methanehydrazonoylsulfanyl-2-methylpropanoyl)pyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C10H17N3O3S/c1-7(5-17-6-12-11)9(14)13-4-2-3-8(13)10(15)16/h6-8H,2-5,11H2,1H3,(H,15,16)
InChI Key:
RWVGUOCGZAUBEC-UHFFFAOYSA-N
SMILES:
NN=CSCC(C(=O)N1CCC[C@H]1C(=O)O)C
Properties
Complexity:
322
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.099g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
259.324g/mol
Monoisotopic Mass:
259.099g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
1
XLogP3:
0.4
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