Molecule ID: 137333724

IUPAC Name: (2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoic acid

Description: The molecule is a tetrapeptide. It has a role as a metabolite. It derives from a L-aspartic acid, a L-leucine and a L-glutamine.

SMILES: CC(C)C[C@H](N=C(O)[C@H](CC(C)C)N=C(O)[C@@H](N)CC(=O)O)C(O)=N[C@@H](CCC(=N)O)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][=O][O][C][Branch1][C][O][=N][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=N][O][C][=Branch1][C][=O][O]

InChI: InChI=1S/C21H37N5O8/c1-10(2)7-14(25-18(30)12(22)9-17(28)29)20(32)26-15(8-11(3)4)19(31)24-13(21(33)34)5-6-16(23)27/h10-15H,5-9,22H2,1-4H3,(H2,23,27)(H,24,31)(H,25,30)(H,26,32)(H,28,29)(H,33,34)/t12-,13-,14-,15-/m0/s1

Molecular Properties:
- Polar Surface Area: 231.0 Ų
- LogP: -4.5