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148627-66-1 | Glycinamide, N-[(1,1-dimethylethoxy)carbonyl]-L-phenylalanyl-N-phenyl- (9CI)
CAS No: 148627-66-1 Catalog No: AG001L3E MDL No:
Product Description
Catalog Number:
AG001L3E
Chemical Name:
Glycinamide, N-[(1,1-dimethylethoxy)carbonyl]-L-phenylalanyl-N-phenyl- (9CI)
CAS Number:
148627-66-1
Molecular Formula:
C22H27N3O4
Molecular Weight:
397.4675
IUPAC Name:
tert-butyl N-[1-[(2-anilino-2-oxoethyl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate
InChI:
InChI=1S/C22H27N3O4/c1-22(2,3)29-21(28)25-18(14-16-10-6-4-7-11-16)20(27)23-15-19(26)24-17-12-8-5-9-13-17/h4-13,18H,14-15H2,1-3H3,(H,23,27)(H,24,26)(H,25,28)
InChI Key:
WVBSNBWEFTYAMP-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccccc1)CNC(=O)[C@@H](NC(=O)OC(C)(C)C)Cc1ccccc1
Properties
Complexity:
547
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
397.2g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
397.475g/mol
Monoisotopic Mass:
397.2g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
96.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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