Molecule ID: 71464614

IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoic acid

Description: The molecule is a tetrapeptide composed of L-asparagine, two L-leucine units, and L-serine joined in sequence by peptide linkages. It has a role as a metabolite. It derives from a L-asparagine, a L-leucine and a L-serine.

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

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

InChI: InChI=1S/C19H35N5O7/c1-9(2)5-12(22-16(27)11(20)7-15(21)26)17(28)23-13(6-10(3)4)18(29)24-14(8-25)19(30)31/h9-14,25H,5-8,20H2,1-4H3,(H2,21,26)(H,22,27)(H,23,28)(H,24,29)(H,30,31)/t11-,12-,13-,14-/m0/s1

Molecular Properties:
- Polar Surface Area: 214.0 Ų
- LogP: -4.1