Molecule ID: 71464609

IUPAC Name: (2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-sulfanylpropanoic acid

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

SMILES: N=C(N)NCCC[C@H](N)C(O)=N[C@@H](Cc1ccccc1)C(O)=N[C@@H](Cc1ccccc1)C(O)=N[C@@H](CS)C(=O)O

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

InChI: InChI=1S/C27H37N7O5S/c28-19(12-7-13-31-27(29)30)23(35)32-20(14-17-8-3-1-4-9-17)24(36)33-21(15-18-10-5-2-6-11-18)25(37)34-22(16-40)26(38)39/h1-6,8-11,19-22,40H,7,12-16,28H2,(H,32,35)(H,33,36)(H,34,37)(H,38,39)(H4,29,30,31)/t19-,20-,21-,22-/m0/s1

Molecular Properties:
- Polar Surface Area: 216.0 Ų
- LogP: -1.9