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138704-94-6

138704-94-6 | L-Leucinamide, 1-[(1,1-dimethylethoxy)carbonyl]-L-prolyl- (9CI)

CAS No: 138704-94-6 Catalog No: AG00191V MDL No:

Product Description

Catalog Number:
AG00191V
Chemical Name:
L-Leucinamide, 1-[(1,1-dimethylethoxy)carbonyl]-L-prolyl- (9CI)
CAS Number:
138704-94-6
Molecular Formula:
C16H29N3O4
Molecular Weight:
327.4192
IUPAC Name:
tert-butyl (2S)-2-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidine-1-carboxylate
InChI:
InChI=1S/C16H29N3O4/c1-10(2)9-11(13(17)20)18-14(21)12-7-6-8-19(12)15(22)23-16(3,4)5/h10-12H,6-9H2,1-5H3,(H2,17,20)(H,18,21)/t11-,12-/m0/s1
InChI Key:
MHRWBEAFWMWWNV-RYUDHWBXSA-N
SMILES:
CC(C[C@@H](C(=O)N)NC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)C

Properties

Complexity:
457  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
327.216g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
327.425g/mol
Monoisotopic Mass:
327.216g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  

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