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Home > Fluorides > 201532-01-6
201532-01-6 | D-Valine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-3-[(triphenylmethyl)thio]-
CAS No: 201532-01-6 Catalog No: AG002DH8 MDL No:MFCD00237389
Product Description
Catalog Number:
AG002DH8
Chemical Name:
D-Valine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-3-[(triphenylmethyl)thio]-
CAS Number:
201532-01-6
Molecular Formula:
C39H35NO4S
Molecular Weight:
613.7645
MDL Number:
MFCD00237389
IUPAC Name:
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methyl-3-tritylsulfanylbutanoic acid
InChI:
InChI=1S/C39H35NO4S/c1-38(2,45-39(27-16-6-3-7-17-27,28-18-8-4-9-19-28)29-20-10-5-11-21-29)35(36(41)42)40-37(43)44-26-34-32-24-14-12-22-30(32)31-23-13-15-25-33(31)34/h3-25,34-35H,26H2,1-2H3,(H,40,43)(H,41,42)/t35-/m0/s1
InChI Key:
XSGMGAINOILNJR-DHUJRADRSA-N
SMILES:
O=C(N[C@H](C(SC(c1ccccc1)(c1ccccc1)c1ccccc1)(C)C)C(=O)O)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
914
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
613.229g/mol
Formal Charge:
0
Heavy Atom Count:
45
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
613.772g/mol
Monoisotopic Mass:
613.229g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.6
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