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159680-21-4 | L-Cysteine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-S-[[(2-phenylacetyl)amino]methyl]-
CAS No: 159680-21-4 Catalog No: AG001RAH MDL No:MFCD00797550
Product Description
Catalog Number:
AG001RAH
Chemical Name:
L-Cysteine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-S-[[(2-phenylacetyl)amino]methyl]-
CAS Number:
159680-21-4
Molecular Formula:
C27H26N2O5S
Molecular Weight:
490.5707
MDL Number:
MFCD00797550
IUPAC Name:
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[[(2-phenylacetyl)amino]methylsulfanyl]propanoic acid
InChI:
InChI=1S/C27H26N2O5S/c30-25(14-18-8-2-1-3-9-18)28-17-35-16-24(26(31)32)29-27(33)34-15-23-21-12-6-4-10-19(21)20-11-5-7-13-22(20)23/h1-13,23-24H,14-17H2,(H,28,30)(H,29,33)(H,31,32)/t24-/m1/s1
InChI Key:
UBFAZPXACZPNQB-XMMPIXPASA-N
SMILES:
O=C(Cc1ccccc1)NCSC[C@@H](C(=O)O)NC(=O)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
706
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
490.156g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
490.574g/mol
Monoisotopic Mass:
490.156g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
130A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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