Molecule ID: 138911106

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

Description: The molecule is a tripeptide composed of L-phenylalanine, L-arginine, and L-threonine joined in sequence by peptide linkages. It derives from a L-phenylalanine, a L-arginine and a L-threonine.

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

SELFIES: [C][C@@H1][Branch1][C][O][C@H1][Branch2][Ring2][Ring2][N][=C][Branch1][C][O][C@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][N][=C][Branch1][C][O][C@@H1][Branch1][C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O]

InChI: InChI=1S/C19H30N6O5/c1-11(26)15(18(29)30)25-17(28)14(8-5-9-23-19(21)22)24-16(27)13(20)10-12-6-3-2-4-7-12/h2-4,6-7,11,13-15,26H,5,8-10,20H2,1H3,(H,24,27)(H,25,28)(H,29,30)(H4,21,22,23)/t11-,13+,14+,15+/m1/s1

Molecular Properties:
- Polar Surface Area: 206.0 Ų
- LogP: -4.6