Molecule ID: 6992128

IUPAC Name: (2S)-2-[[(2S)-2-azaniumylpropanoyl]amino]-4-methylpentanoate

Description: The molecule is a peptide zwitterion obtained by transfer of a proton from the carboxy to the amino terminus of Ala-Leu. It is a tautomer of an Ala-Leu.

SMILES: CC(C)C[C@H](N=C(O)[C@H](C)N)C(=O)O

SELFIES: [C][C][Branch1][C][C][C][C@H1][Branch1][O][N][=C][Branch1][C][O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][O]

InChI: InChI=1S/C9H18N2O3/c1-5(2)4-7(9(13)14)11-8(12)6(3)10/h5-7H,4,10H2,1-3H3,(H,11,12)(H,13,14)/t6-,7-/m0/s1

Molecular Properties:
- Polar Surface Area: 96.9 Ų
- LogP: -2.1