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1301706-43-3 | D-Homocysteine, N-[(1,1-dimethylethoxy)carbonyl]-S-(triphenylmethyl)-
CAS No: 1301706-43-3 Catalog No: AG000U37 MDL No:MFCD08458559
Product Description
Catalog Number:
AG000U37
Chemical Name:
D-Homocysteine, N-[(1,1-dimethylethoxy)carbonyl]-S-(triphenylmethyl)-
CAS Number:
1301706-43-3
Molecular Formula:
C28H31NO4S
Molecular Weight:
477.6150
MDL Number:
MFCD08458559
IUPAC Name:
(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-tritylsulfanylbutanoic acid
InChI:
InChI=1S/C28H31NO4S/c1-27(2,3)33-26(32)29-24(25(30)31)19-20-34-28(21-13-7-4-8-14-21,22-15-9-5-10-16-22)23-17-11-6-12-18-23/h4-18,24H,19-20H2,1-3H3,(H,29,32)(H,30,31)/t24-/m1/s1
InChI Key:
YBAYCOKLWMVUSV-XMMPIXPASA-N
SMILES:
O=C(OC(C)(C)C)N[C@@H](C(=O)O)CCSC(c1ccccc1)(c1ccccc1)c1ccccc1
Properties
Complexity:
598
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
477.197g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
477.619g/mol
Monoisotopic Mass:
477.197g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.2
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