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140670-80-0 | L-Proline, L-cysteinyl-L-prolyl-
CAS No: 140670-80-0 Catalog No: AG001CNJ MDL No:
Product Description
Catalog Number:
AG001CNJ
Chemical Name:
L-Proline, L-cysteinyl-L-prolyl-
CAS Number:
140670-80-0
Molecular Formula:
C13H21N3O4S
Molecular Weight:
315.3885
IUPAC Name:
(2S)-1-[(2S)-1-[(2R)-2-amino-3-sulfanylpropanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C13H21N3O4S/c14-8(7-21)11(17)15-5-1-3-9(15)12(18)16-6-2-4-10(16)13(19)20/h8-10,21H,1-7,14H2,(H,19,20)/t8-,9-,10-/m0/s1
InChI Key:
KSMSFCBQBQPFAD-GUBZILKMSA-N
SMILES:
SC[C@@H](C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)O)N
Properties
Complexity:
445
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
315.125g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
315.388g/mol
Monoisotopic Mass:
315.125g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3
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