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Home > Nitro Compounds > 14009-92-8
14009-92-8 | L-Tryptophan, N-acetyl-, 4-nitrophenyl ester
CAS No: 14009-92-8 Catalog No: AG001C0S MDL No:MFCD00037937
Product Description
Catalog Number:
AG001C0S
Chemical Name:
L-Tryptophan, N-acetyl-, 4-nitrophenyl ester
CAS Number:
14009-92-8
Molecular Formula:
C19H17N3O5
Molecular Weight:
367.3554
MDL Number:
MFCD00037937
IUPAC Name:
(4-nitrophenyl) (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate
InChI:
InChI=1S/C19H17N3O5/c1-12(23)21-18(10-13-11-20-17-5-3-2-4-16(13)17)19(24)27-15-8-6-14(7-9-15)22(25)26/h2-9,11,18,20H,10H2,1H3,(H,21,23)/t18-/m0/s1
InChI Key:
QCLCPFXPLVJTLB-SFHVURJKSA-N
SMILES:
CC(=O)NC(C(=O)Oc1ccc(cc1)[N+](=O)[O-])Cc1c[nH]c2c1cccc2
Properties
Complexity:
556
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
367.117g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
367.361g/mol
Monoisotopic Mass:
367.117g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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