Molecule ID: 71464522

IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-hydroxypropanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid

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

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

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

InChI: InChI=1S/C17H33N7O6S/c1-9(18)13(26)22-10(5-7-31-2)14(27)24-12(8-25)15(28)23-11(16(29)30)4-3-6-21-17(19)20/h9-12,25H,3-8,18H2,1-2H3,(H,22,26)(H,23,28)(H,24,27)(H,29,30)(H4,19,20,21)/t9-,10-,11-,12-/m0/s1

Molecular Properties:
- Polar Surface Area: 261.0 Ų
- LogP: -5.4