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89460-20-8 | 1-METHYL-2-OXO-3-[1-OXO-2-[[3-PHENYL-1-[(PHENYLMETHOXY)CARBONYL]PROPYL]AMINO]PROPYL]-4-IMIDAZOLIDINECARBOXYLIC ACID TERT-BUTYL ESTER
CAS No: 89460-20-8 Catalog No: AG0042JO MDL No:
Product Description
Catalog Number:
AG0042JO
Chemical Name:
1-METHYL-2-OXO-3-[1-OXO-2-[[3-PHENYL-1-[(PHENYLMETHOXY)CARBONYL]PROPYL]AMINO]PROPYL]-4-IMIDAZOLIDINECARBOXYLIC ACID TERT-BUTYL ESTER
CAS Number:
89460-20-8
Molecular Formula:
C29H37N3O6
Molecular Weight:
523.6206
IUPAC Name:
tert-butyl 1-methyl-2-oxo-3-[2-[(1-oxo-4-phenyl-1-phenylmethoxybutan-2-yl)amino]propanoyl]imidazolidine-4-carboxylate
InChI:
InChI=1S/C29H37N3O6/c1-20(25(33)32-24(18-31(5)28(32)36)27(35)38-29(2,3)4)30-23(17-16-21-12-8-6-9-13-21)26(34)37-19-22-14-10-7-11-15-22/h6-15,20,23-24,30H,16-19H2,1-5H3
InChI Key:
JSROFURYAHZGNA-UHFFFAOYSA-N
SMILES:
CC(C(=O)N1C(=O)N(CC1C(=O)OC(C)(C)C)C)NC(C(=O)OCc1ccccc1)CCc1ccccc1
Properties
Complexity:
829
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
523.268g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
523.63g/mol
Monoisotopic Mass:
523.268g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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