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176180-97-5 | L-Cysteine, S,S'-[5-(2-aminoethyl)-2,3-dihydroxy-1,4-phenylene]bis- (9CI)
CAS No: 176180-97-5 Catalog No: AG0024GN MDL No:
Product Description
Catalog Number:
AG0024GN
Chemical Name:
L-Cysteine, S,S'-[5-(2-aminoethyl)-2,3-dihydroxy-1,4-phenylene]bis- (9CI)
CAS Number:
176180-97-5
Molecular Formula:
C14H21N3O6S2
Molecular Weight:
391.4630
IUPAC Name:
(2R)-2-amino-3-[4-[(2R)-2-amino-2-carboxyethyl]sulfanyl-5-(2-aminoethyl)-2,3-dihydroxyphenyl]sulfanylpropanoic acid
InChI:
InChI=1S/C14H21N3O6S2/c15-2-1-6-3-9(24-4-7(16)13(20)21)10(18)11(19)12(6)25-5-8(17)14(22)23/h3,7-8,18-19H,1-2,4-5,15-17H2,(H,20,21)(H,22,23)/t7-,8-/m0/s1
InChI Key:
BQMVZBGSUJELKK-YUMQZZPRSA-N
SMILES:
NCCc1cc(SC[C@@H](C(=O)O)N)c(c(c1SC[C@@H](C(=O)O)N)O)O
Properties
Complexity:
458
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
391.087g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
7
Isotope Atom Count:
0
Molecular Weight:
391.457g/mol
Monoisotopic Mass:
391.087g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
244A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-5.6
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