Molecule ID: 71464581

IUPAC Name: (2S)-2-[[(2S)-5-amino-2-[[(2S)-4-amino-2-[[(2S)-2-aminopropanoyl]amino]-4-oxobutanoyl]amino]-5-oxopentanoyl]amino]-3-hydroxypropanoic acid

Description: The molecule is a tetrapeptide composed of L-alanyl, L-asparagyl, L-glutamyl, and L-serine residues joined in sequence. It has a role as a metabolite. It derives from a L-alanine, a L-asparagine, a L-glutamine and a L-serine.

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

SELFIES: [C][C@H1][Branch1][C][N][C][Branch1][C][O][=N][C@@H1][Branch1][#Branch1][C][C][=Branch1][C][=N][O][C][Branch1][C][O][=N][C@@H1][Branch1][Branch2][C][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/C15H26N6O8/c1-6(16)12(25)20-8(4-11(18)24)14(27)19-7(2-3-10(17)23)13(26)21-9(5-22)15(28)29/h6-9,22H,2-5,16H2,1H3,(H2,17,23)(H2,18,24)(H,19,27)(H,20,25)(H,21,26)(H,28,29)/t6-,7-,8-,9-/m0/s1

Molecular Properties:
- Polar Surface Area: 257.0 Ų
- LogP: -7.5