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84902-97-6 | TERT-BUTYL N-[2-METHYL-1-[(2S)-2-[[(2S)-1-METHYLPYRROLIDINE-2-CARBONYL ]CARBAMOYL]PYRROLIDIN-1-YL]-1-OXO-PROPAN-2-YL]CARBAMATE
CAS No: 84902-97-6 Catalog No: AG004Q1P MDL No:
Product Description
Catalog Number:
AG004Q1P
Chemical Name:
TERT-BUTYL N-[2-METHYL-1-[(2S)-2-[[(2S)-1-METHYLPYRROLIDINE-2-CARBONYL ]CARBAMOYL]PYRROLIDIN-1-YL]-1-OXO-PROPAN-2-YL]CARBAMATE
CAS Number:
84902-97-6
Molecular Formula:
C20H34N4O5
Molecular Weight:
410.5078
IUPAC Name:
tert-butyl N-[2-methyl-1-[(2S)-2-[[(2S)-1-methylpyrrolidine-2-carbonyl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamate
InChI:
InChI=1S/C20H34N4O5/c1-19(2,3)29-18(28)22-20(4,5)17(27)24-12-8-10-14(24)16(26)21-15(25)13-9-7-11-23(13)6/h13-14H,7-12H2,1-6H3,(H,22,28)(H,21,25,26)/t13-,14-/m0/s1
InChI Key:
WRNOPZOASXNZJB-KBPBESRZSA-N
SMILES:
O=C(NC(C(=O)N1CCC[C@H]1C(=O)NC(=O)[C@@H]1CCCN1C)(C)C)OC(C)(C)C
Properties
Complexity:
670
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
410.253g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
410.515g/mol
Monoisotopic Mass:
410.253g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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