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144317-18-0 | L-Asparagine, N-[(4-methylphenyl)diphenylmethyl]-N2-[(phenylmethoxy)carbonyl]- (9CI)
CAS No: 144317-18-0 Catalog No: AG001JAR MDL No:
Product Description
Catalog Number:
AG001JAR
Chemical Name:
L-Asparagine, N-[(4-methylphenyl)diphenylmethyl]-N2-[(phenylmethoxy)carbonyl]- (9CI)
CAS Number:
144317-18-0
Molecular Formula:
C32H30N2O5
Molecular Weight:
522.5910
IUPAC Name:
(2S)-4-[[(4-methylphenyl)-diphenylmethyl]amino]-4-oxo-2-(phenylmethoxycarbonylamino)butanoic acid
InChI:
InChI=1S/C32H30N2O5/c1-23-17-19-27(20-18-23)32(25-13-7-3-8-14-25,26-15-9-4-10-16-26)34-29(35)21-28(30(36)37)33-31(38)39-22-24-11-5-2-6-12-24/h2-20,28H,21-22H2,1H3,(H,33,38)(H,34,35)(H,36,37)/t28-/m0/s1
InChI Key:
OOWKUTRZJDOGPF-NDEPHWFRSA-N
SMILES:
Cc1ccc(cc1)C(N([C@H](C(=O)O)CC(=O)N)C(=O)OCc1ccccc1)(c1ccccc1)c1ccccc1
Properties
Complexity:
772
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
522.215g/mol
Formal Charge:
0
Heavy Atom Count:
39
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
522.601g/mol
Monoisotopic Mass:
522.215g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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