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139924-67-7

139924-67-7 | D-Cysteine, N-[(phenylmethoxy)carbonyl]-S-(triphenylmethyl)-

CAS No: 139924-67-7 Catalog No: AG001BTN MDL No:

Product Description

Catalog Number:
AG001BTN
Chemical Name:
D-Cysteine, N-[(phenylmethoxy)carbonyl]-S-(triphenylmethyl)-
CAS Number:
139924-67-7
Molecular Formula:
C30H27NO4S
Molecular Weight:
497.6047
IUPAC Name:
2-(phenylmethoxycarbonylamino)-3-tritylsulfanylpropanoic acid
InChI:
InChI=1S/C30H27NO4S/c32-28(33)27(31-29(34)35-21-23-13-5-1-6-14-23)22-36-30(24-15-7-2-8-16-24,25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-20,27H,21-22H2,(H,31,34)(H,32,33)
InChI Key:
AXGBGCZDGIBZPI-UHFFFAOYSA-N
SMILES:
O=C(N[C@@H](C(=O)O)CSC(c1ccccc1)(c1ccccc1)c1ccccc1)OCc1ccccc1
NSC Number:
129833

Properties

Complexity:
631  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
497.166g/mol
Formal Charge:
0
Heavy Atom Count:
36  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
497.609g/mol
Monoisotopic Mass:
497.166g/mol
Rotatable Bond Count:
11  
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
6.4  

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