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2899-07-2 | L-Phenylalanine, N-methyl-N-[(phenylmethoxy)carbonyl]-
CAS No: 2899-07-2 Catalog No: AG002V4C MDL No:MFCD00153393
Product Description
Catalog Number:
AG002V4C
Chemical Name:
L-Phenylalanine, N-methyl-N-[(phenylmethoxy)carbonyl]-
CAS Number:
2899-07-2
Molecular Formula:
C18H19NO4
Molecular Weight:
313.3478
MDL Number:
MFCD00153393
IUPAC Name:
(2S)-2-[methyl(phenylmethoxycarbonyl)amino]-3-phenylpropanoic acid
InChI:
InChI=1S/C18H19NO4/c1-19(18(22)23-13-15-10-6-3-7-11-15)16(17(20)21)12-14-8-4-2-5-9-14/h2-11,16H,12-13H2,1H3,(H,20,21)/t16-/m0/s1
InChI Key:
JDGXKNMKNMSHRJ-INIZCTEOSA-N
SMILES:
OC(=O)[C@@H](N(C(=O)OCc1ccccc1)C)Cc1ccccc1
Properties
Complexity:
387
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
313.131g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
313.353g/mol
Monoisotopic Mass:
313.131g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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