Molecule ID: 44298592

IUPAC Name: (2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]butanedioic acid

Description: The molecule is a dipeptide obtained by formal condensation of the carboxy group of L-isoleucine with the amino group of L-aspartic acid. It derives from a L-isoleucine and a L-aspartic acid.

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

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

InChI: InChI=1S/C10H18N2O5/c1-3-5(2)8(11)9(15)12-6(10(16)17)4-7(13)14/h5-6,8H,3-4,11H2,1-2H3,(H,12,15)(H,13,14)(H,16,17)/t5-,6-,8-/m0/s1

Molecular Properties:
- Polar Surface Area: 130.0 Ų
- LogP: -4.0