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2640-52-0 | L-Cysteine, S-(1,1-dimethylethyl)-N-[(phenylmethoxy)carbonyl]-
CAS No: 2640-52-0 Catalog No: AG002T1Y MDL No:
Product Description
Catalog Number:
AG002T1Y
Chemical Name:
L-Cysteine, S-(1,1-dimethylethyl)-N-[(phenylmethoxy)carbonyl]-
CAS Number:
2640-52-0
Molecular Formula:
C15H21NO4S
Molecular Weight:
311.3965
IUPAC Name:
(2R)-3-tert-butylsulfanyl-2-(phenylmethoxycarbonylamino)propanoic acid
InChI:
InChI=1S/C15H21NO4S/c1-15(2,3)21-10-12(13(17)18)16-14(19)20-9-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,16,19)(H,17,18)/t12-/m0/s1
InChI Key:
VZQPQMYTSLCEFW-LBPRGKRZSA-N
SMILES:
O=C(N[C@H](C(=O)O)CSC(C)(C)C)OCc1ccccc1
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
311.119g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
311.396g/mol
Monoisotopic Mass:
311.119g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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