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57912-35-3 | Z-Cys(Z);-OH
CAS No: 57912-35-3 Catalog No: AG003VDD MDL No:MFCD00037823
Product Description
Catalog Number:
AG003VDD
Chemical Name:
Z-Cys(Z);-OH
CAS Number:
57912-35-3
Molecular Formula:
C19H19NO6S
Molecular Weight:
389.4223
MDL Number:
MFCD00037823
IUPAC Name:
(2R)-2-(phenylmethoxycarbonylamino)-3-phenylmethoxycarbonylsulfanylpropanoic acid
InChI:
InChI=1S/C19H19NO6S/c21-17(22)16(20-18(23)25-11-14-7-3-1-4-8-14)13-27-19(24)26-12-15-9-5-2-6-10-15/h1-10,16H,11-13H2,(H,20,23)(H,21,22)/t16-/m0/s1
InChI Key:
PXKPRICKEUGRRR-INIZCTEOSA-N
SMILES:
O=C(SC[C@@H](C(=O)O)NC(=O)OCc1ccccc1)OCc1ccccc1
EC Number:
261-013-7
Properties
Complexity:
489
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
389.093g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
389.422g/mol
Monoisotopic Mass:
389.093g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
127A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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