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116287-67-3 | L-Prolinamide, N-[(phenylmethoxy)carbonyl]-L-alanyl-N-(2-methylpropyl)- (9CI)
CAS No: 116287-67-3 Catalog No: AG000C3S MDL No:
Product Description
Catalog Number:
AG000C3S
Chemical Name:
L-Prolinamide, N-[(phenylmethoxy)carbonyl]-L-alanyl-N-(2-methylpropyl)- (9CI)
CAS Number:
116287-67-3
Molecular Formula:
C20H29N3O4
Molecular Weight:
375.4620
IUPAC Name:
benzyl N-[1-[2-(2-methylpropylcarbamoyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamate
InChI:
InChI=1S/C20H29N3O4/c1-14(2)12-21-18(24)17-10-7-11-23(17)19(25)15(3)22-20(26)27-13-16-8-5-4-6-9-16/h4-6,8-9,14-15,17H,7,10-13H2,1-3H3,(H,21,24)(H,22,26)
InChI Key:
IKKFBTILCBRHGS-UHFFFAOYSA-N
SMILES:
CC(CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OCc1ccccc1)C)C
Properties
Complexity:
517
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
375.216g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
375.469g/mol
Monoisotopic Mass:
375.216g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
87.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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