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76932-05-3 | L-Proline, 1-[N-(3-mercapto-1-oxopropyl)-L-alanyl]-
CAS No: 76932-05-3 Catalog No: AG005G2J MDL No:
Product Description
Catalog Number:
AG005G2J
Chemical Name:
L-Proline, 1-[N-(3-mercapto-1-oxopropyl)-L-alanyl]-
CAS Number:
76932-05-3
Molecular Formula:
C11H18N2O4S
Molecular Weight:
274.3366
IUPAC Name:
(2S)-1-[(2S)-2-(3-sulfanylpropanoylamino)propanoyl]pyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C11H18N2O4S/c1-7(12-9(14)4-6-18)10(15)13-5-2-3-8(13)11(16)17/h7-8,18H,2-6H2,1H3,(H,12,14)(H,16,17)/t7-,8-/m0/s1
InChI Key:
BSXVKGXFKUIGTB-YUMQZZPRSA-N
SMILES:
SCCC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)O)C
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
274.099g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
274.335g/mol
Monoisotopic Mass:
274.099g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
87.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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