200,000+ products from a single source!
sales@angenechem.com
Home > Fluorides > 1176547-78-6
1176547-78-6 | 9H-Fluoren-9-ylmethyl N-[(1S)-3-(methylsulfanyl)-1-{[(1R)-1-phenylethyl]carbamoyl}propyl]carbamate
CAS No: 1176547-78-6 Catalog No: AG01F2R5 MDL No:
Product Description
Catalog Number:
AG01F2R5
Chemical Name:
9H-Fluoren-9-ylmethyl N-[(1S)-3-(methylsulfanyl)-1-{[(1R)-1-phenylethyl]carbamoyl}propyl]carbamate
CAS Number:
1176547-78-6
Molecular Formula:
C28H30N2O3S
Molecular Weight:
474.6144
IUPAC Name:
9H-fluoren-9-ylmethyl N-[(2S)-4-methylsulfanyl-1-oxo-1-[[(1R)-1-phenylethyl]amino]butan-2-yl]carbamate
InChI:
InChI=1S/C28H30N2O3S/c1-19(20-10-4-3-5-11-20)29-27(31)26(16-17-34-2)30-28(32)33-18-25-23-14-8-6-12-21(23)22-13-7-9-15-24(22)25/h3-15,19,25-26H,16-18H2,1-2H3,(H,29,31)(H,30,32)/t19-,26+/m1/s1
InChI Key:
UYJDGYSUDUCXGQ-BCHFMIIMSA-N
SMILES:
CSCC[C@@H](C(=O)N[C@@H](c1ccccc1)C)NC(=O)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
646
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
474.198g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
474.619g/mol
Monoisotopic Mass:
474.198g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
92.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.