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Home > Nitro Compounds > 64709-51-9
64709-51-9 | L-Leucinamide, 1-acetyl-L-prolyl-N-(4-nitrophenyl)-
CAS No: 64709-51-9 Catalog No: AG00H7ZH MDL No:
Product Description
Catalog Number:
AG00H7ZH
Chemical Name:
L-Leucinamide, 1-acetyl-L-prolyl-N-(4-nitrophenyl)-
CAS Number:
64709-51-9
Molecular Formula:
C19H26N4O5
Molecular Weight:
390.4335
IUPAC Name:
(2S)-1-acetyl-N-[(2S)-4-methyl-1-(4-nitroanilino)-1-oxopentan-2-yl]pyrrolidine-2-carboxamide
InChI:
InChI=1S/C19H26N4O5/c1-12(2)11-16(21-19(26)17-5-4-10-22(17)13(3)24)18(25)20-14-6-8-15(9-7-14)23(27)28/h6-9,12,16-17H,4-5,10-11H2,1-3H3,(H,20,25)(H,21,26)/t16-,17-/m0/s1
InChI Key:
ZWMMPWPEJPPTPK-IRXDYDNUSA-N
SMILES:
CC(C[C@@H](C(=O)Nc1ccc(cc1)[N+](=O)[O-])NC(=O)[C@@H]1CCCN1C(=O)C)C
Properties
Complexity:
596
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
390.19g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
390.44g/mol
Monoisotopic Mass:
390.19g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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