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Home > Nitro Compounds > 90145-72-5
90145-72-5 | L-Prolinamide, L-phenylalanyl-N-(4-nitrophenyl)-
CAS No: 90145-72-5 Catalog No: AG00H6OK MDL No:
Product Description
Catalog Number:
AG00H6OK
Chemical Name:
L-Prolinamide, L-phenylalanyl-N-(4-nitrophenyl)-
CAS Number:
90145-72-5
Molecular Formula:
C20H22N4O4
Molecular Weight:
382.4131
IUPAC Name:
(2S)-1-[(2S)-2-amino-3-phenylpropanoyl]-N-(4-nitrophenyl)pyrrolidine-2-carboxamide
InChI:
InChI=1S/C20H22N4O4/c21-17(13-14-5-2-1-3-6-14)20(26)23-12-4-7-18(23)19(25)22-15-8-10-16(11-9-15)24(27)28/h1-3,5-6,8-11,17-18H,4,7,12-13,21H2,(H,22,25)/t17-,18-/m0/s1
InChI Key:
UAAHZYVVVQNAPU-ROUUACIJSA-N
SMILES:
O=C([C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)N)Nc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
565
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
382.164g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
382.42g/mol
Monoisotopic Mass:
382.164g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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