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Home > Nitro Compounds > 74569-67-8
74569-67-8 | L-Phenylalaninamide, glycylglycyl-N-(4-nitrophenyl)-
CAS No: 74569-67-8 Catalog No: AG005AQO MDL No:
Product Description
Catalog Number:
AG005AQO
Chemical Name:
L-Phenylalaninamide, glycylglycyl-N-(4-nitrophenyl)-
CAS Number:
74569-67-8
Molecular Formula:
C19H21N5O5
Molecular Weight:
399.4005
IUPAC Name:
(2S)-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-N-(4-nitrophenyl)-3-phenylpropanamide
InChI:
InChI=1S/C19H21N5O5/c20-11-17(25)21-12-18(26)23-16(10-13-4-2-1-3-5-13)19(27)22-14-6-8-15(9-7-14)24(28)29/h1-9,16H,10-12,20H2,(H,21,25)(H,22,27)(H,23,26)/t16-/m0/s1
InChI Key:
YNSMQFACHKXOGT-INIZCTEOSA-N
SMILES:
NCC(=O)NCC(=O)N[C@H](C(=O)Nc1ccc(cc1)[N+](=O)[O-])Cc1ccccc1
Properties
Complexity:
580
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
399.154g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
399.407g/mol
Monoisotopic Mass:
399.154g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
159A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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