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88168-62-1 | D-Valine, 3-mercapto-N-[(phenylmethoxy)carbonyl]-
CAS No: 88168-62-1 Catalog No: AG004FJS MDL No:
Product Description
Catalog Number:
AG004FJS
Chemical Name:
D-Valine, 3-mercapto-N-[(phenylmethoxy)carbonyl]-
CAS Number:
88168-62-1
Molecular Formula:
C13H17NO4S
Molecular Weight:
283.3434
IUPAC Name:
(2S)-3-methyl-2-(phenylmethoxycarbonylamino)-3-sulfanylbutanoic acid
InChI:
InChI=1S/C13H17NO4S/c1-13(2,19)10(11(15)16)14-12(17)18-8-9-6-4-3-5-7-9/h3-7,10,19H,8H2,1-2H3,(H,14,17)(H,15,16)/t10-/m0/s1
InChI Key:
HCJFVQQLIWBSLC-JTQLQIEISA-N
SMILES:
O=C(N[C@H](C(S)(C)C)C(=O)O)OCc1ccccc1
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
283.088g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
283.342g/mol
Monoisotopic Mass:
283.088g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
76.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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