Molecule ID: 71464611

IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid

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

SMILES: N=C(N)NCCC[C@H](N)C(O)=N[C@@H](Cc1c[nH]c2ccccc12)C(O)=N[C@@H](CO)C(O)=N[C@@H](Cc1ccc(O)cc1)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][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][Branch1][C][O][=N][C@@H1][Branch1][Ring1][C][O][C][Branch1][C][O][=N][C@@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][O]

InChI: InChI=1S/C29H38N8O7/c30-20(5-3-11-33-29(31)32)25(40)35-22(13-17-14-34-21-6-2-1-4-19(17)21)26(41)37-24(15-38)27(42)36-23(28(43)44)12-16-7-9-18(39)10-8-16/h1-2,4,6-10,14,20,22-24,34,38-39H,3,5,11-13,15,30H2,(H,35,40)(H,36,42)(H,37,41)(H,43,44)(H4,31,32,33)/t20-,22-,23-,24-/m0/s1

Molecular Properties:
- Polar Surface Area: 271.0 Ų
- LogP: -3.9