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Home > Nitro Compounds > 87964-20-3
87964-20-3 | L-Tryptophanamide, 4-nitro-L-phenylalanyl-N-(2-hydroxyethyl)-
CAS No: 87964-20-3 Catalog No: AG004G9D MDL No:
Product Description
Catalog Number:
AG004G9D
Chemical Name:
L-Tryptophanamide, 4-nitro-L-phenylalanyl-N-(2-hydroxyethyl)-
CAS Number:
87964-20-3
Molecular Formula:
C22H25N5O5
Molecular Weight:
439.4644
IUPAC Name:
(2S)-2-amino-N-[(2S)-1-(2-hydroxyethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-3-(4-nitrophenyl)propanamide
InChI:
InChI=1S/C22H25N5O5/c23-18(11-14-5-7-16(8-6-14)27(31)32)21(29)26-20(22(30)24-9-10-28)12-15-13-25-19-4-2-1-3-17(15)19/h1-8,13,18,20,25,28H,9-12,23H2,(H,24,30)(H,26,29)/t18-,20-/m0/s1
InChI Key:
UWKCNIGRUKJVFN-ICSRJNTNSA-N
SMILES:
OCCNC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@H](Cc1ccc(cc1)[N+](=O)[O-])N
Properties
Complexity:
649
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
439.186g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
439.472g/mol
Monoisotopic Mass:
439.186g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
166A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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