Molecule ID: 71464520

IUPAC Name: (2S)-5-amino-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-5-oxopentanoic acid

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

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

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

InChI: InChI=1S/C18H33N5O7/c1-8(2)7-12(22-15(26)9(3)19)16(27)23-14(10(4)24)17(28)21-11(18(29)30)5-6-13(20)25/h8-12,14,24H,5-7,19H2,1-4H3,(H2,20,25)(H,21,28)(H,22,26)(H,23,27)(H,29,30)/t9-,10+,11-,12-,14-/m0/s1

Molecular Properties:
- Polar Surface Area: 214.0 Ų
- LogP: -4.4