Molecule ID: 45266778

IUPAC Name: 2-[[2-[3-[[2-(4-hydroxy-3-iodo-5-nitrophenyl)acetyl]amino]propanoylamino]acetyl]amino]acetic acid

Description: The molecule is a tripeptide consisting of betaAlaGlyGly with a 4-hydroxy-3-iodo-5-nitrophenylacetyl substituent on the beta-alanine nitrogen. It is a tripeptide and a member of 2-nitrophenols.

SMILES: O=C(O)CN=C(O)CN=C(O)CCN=C(O)Cc1cc(I)c(O)c([N+](=O)[O-])c1

SELFIES: [O][=C][Branch1][C][O][C][N][=C][Branch1][C][O][C][N][=C][Branch1][C][O][C][C][N][=C][Branch1][C][O][C][C][=C][C][Branch1][C][I][=C][Branch1][C][O][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][O]

InChI: InChI=1S/C15H17IN4O8/c16-9-3-8(4-10(15(9)26)20(27)28)5-12(22)17-2-1-11(21)18-6-13(23)19-7-14(24)25/h3-4,26H,1-2,5-7H2,(H,17,22)(H,18,21)(H,19,23)(H,24,25)

Molecular Properties:
- Polar Surface Area: 191.0 Ų
- LogP: 0.0