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40332-25-0 | N-[(2-Methyl-1H-benzimidazol-1-yl)acetyl]-L-phenylalanine
CAS No: 40332-25-0 Catalog No: AG00CM09 MDL No:MFCD11111479
Product Description
Catalog Number:
AG00CM09
Chemical Name:
N-[(2-Methyl-1H-benzimidazol-1-yl)acetyl]-L-phenylalanine
CAS Number:
40332-25-0
Molecular Formula:
C20H21N3O3
Molecular Weight:
351.3990
MDL Number:
MFCD11111479
IUPAC Name:
methyl (2S)-2-[[2-(2-methylbenzimidazol-1-yl)acetyl]amino]-3-phenylpropanoate
InChI:
InChI=1S/C20H21N3O3/c1-14-21-16-10-6-7-11-18(16)23(14)13-19(24)22-17(20(25)26-2)12-15-8-4-3-5-9-15/h3-11,17H,12-13H2,1-2H3,(H,22,24)/t17-/m0/s1
InChI Key:
JRBYMRQNQUJCFN-KRWDZBQOSA-N
SMILES:
COC(=O)[C@@H](NC(=O)Cn1c(C)nc2c1cccc2)Cc1ccccc1
Properties
Complexity:
493
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
351.158g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
351.406g/mol
Monoisotopic Mass:
351.158g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
73.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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