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114390-36-2 | Glycinamide, 1-[(1,1-dimethylethoxy)carbonyl]-L-prolyl-L-glutaminyl- (9CI)
CAS No: 114390-36-2 Catalog No: AG000B7G MDL No:
Product Description
Catalog Number:
AG000B7G
Chemical Name:
Glycinamide, 1-[(1,1-dimethylethoxy)carbonyl]-L-prolyl-L-glutaminyl- (9CI)
CAS Number:
114390-36-2
Molecular Formula:
C17H29N5O6
Molecular Weight:
399.4421
IUPAC Name:
tert-butyl 2-[[5-amino-1-[(2-amino-2-oxoethyl)amino]-1,5-dioxopentan-2-yl]carbamoyl]pyrrolidine-1-carboxylate
InChI:
InChI=1S/C17H29N5O6/c1-17(2,3)28-16(27)22-8-4-5-11(22)15(26)21-10(6-7-12(18)23)14(25)20-9-13(19)24/h10-11H,4-9H2,1-3H3,(H2,18,23)(H2,19,24)(H,20,25)(H,21,26)
InChI Key:
PYSWQDMVXWIXJZ-UHFFFAOYSA-N
SMILES:
NC(=O)CC[C@@H](C(=O)NCC(=O)N)NC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C
Properties
Complexity:
630
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
399.212g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
399.448g/mol
Monoisotopic Mass:
399.212g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
174A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.5
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