200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 100803-82-5
100803-82-5 | L-Phenylalanine, N-benzoyl-2,3-didehydrovalyl- (9CI)
CAS No: 100803-82-5 Catalog No: AG0002WU MDL No:
Product Description
Catalog Number:
AG0002WU
Chemical Name:
L-Phenylalanine, N-benzoyl-2,3-didehydrovalyl- (9CI)
CAS Number:
100803-82-5
Molecular Formula:
C21H22N2O4
Molecular Weight:
366.4104
IUPAC Name:
2-[(2-benzamido-3-methylbutanoyl)amino]-3-cyclohexa-1,3-dien-5-yn-1-ylpropanoic acid
InChI:
InChI=1S/C21H22N2O4/c1-14(2)18(23-19(24)16-11-7-4-8-12-16)20(25)22-17(21(26)27)13-15-9-5-3-6-10-15/h3-5,7-9,11-12,14,17-18H,13H2,1-2H3,(H,22,25)(H,23,24)(H,26,27)
InChI Key:
RULRRNJZHCNYOH-UHFFFAOYSA-N
SMILES:
CC([C@@H](C(=O)N[C@H](C(=O)O)CC1=CC=CC#C1)NC(=O)c1ccccc1)C
Properties
Complexity:
514
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
366.158g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
366.417g/mol
Monoisotopic Mass:
366.158g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
95.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.