Molecule ID: 71464610

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

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

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

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

InChI: InChI=1S/C16H31N7O6S2/c1-7(24)11(23-12(25)8(17)3-2-4-20-16(18)19)14(27)21-9(5-30)13(26)22-10(6-31)15(28)29/h7-11,24,30-31H,2-6,17H2,1H3,(H,21,27)(H,22,26)(H,23,25)(H,28,29)(H4,18,19,20)/t7-,8+,9+,10+,11+/m1/s1

Molecular Properties:
- Polar Surface Area: 237.0 Ų
- LogP: -5.7