Molecule ID: 71464689

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

Description: The molecule is a tetrapeptide composed of L-aspartic acid, L-leucine, L-aspartic acid, and L-glutamine joined in sequence by peptide linkages. 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](N)CC(=O)O)C(O)=N[C@@H](CC(=O)O)C(O)=N[C@@H](CCC(=N)O)C(=O)O

SELFIES: [C][C][Branch1][C][C][C][C@H1][Branch1][S][N][=C][Branch1][C][O][C@@H1][Branch1][C][N][C][C][=Branch1][C][=O][O][C][Branch1][C][O][=N][C@@H1][Branch1][#Branch1][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/C19H31N5O10/c1-8(2)5-11(23-16(30)9(20)6-14(26)27)17(31)24-12(7-15(28)29)18(32)22-10(19(33)34)3-4-13(21)25/h8-12H,3-7,20H2,1-2H3,(H2,21,25)(H,22,32)(H,23,30)(H,24,31)(H,26,27)(H,28,29)(H,33,34)/t9-,10-,11-,12-/m0/s1

Molecular Properties:
- Polar Surface Area: 268.0 Ų
- LogP: -5.3