Molecule ID: 7016069

IUPAC Name: (2S)-2-azaniumyl-5-[[(1S)-1-carboxylato-2-(1H-indol-3-yl)ethyl]amino]-5-oxopentanoate

Description: The molecule is a peptide anion that is the conjugate base of gamma-Glu-Trp, obtained by removal of protons from the two carboxy groups as well as protonation of the amino group; major species at pH 7.3. It is a conjugate base of a gamma-Glu-Trp.

SMILES: N[C@@H](CCC([O-])=N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)C(=O)O

SELFIES: [N][C@@H1][Branch2][Ring1][=C][C][C][C][Branch1][C][O-1][=N][C@@H1][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O]

InChI: InChI=1S/C16H19N3O5/c17-11(15(21)22)5-6-14(20)19-13(16(23)24)7-9-8-18-12-4-2-1-3-10(9)12/h1-4,8,11,13,18H,5-7,17H2,(H,19,20)(H,21,22)(H,23,24)/p-1/t11-,13-/m0/s1

Molecular Properties:
- Polar Surface Area: 153.0 Ų
- LogP: -0.9