Molecule ID: 51349161

IUPAC Name: (3S)-3-amino-4-[[(2S)-1-[[(2S)-1-[[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid

Description: The molecule is a tetrapeptide composed of L-aspartic acid, L-phenylalanine, L-valine, and L-tyrosine units joined in sequence. It derives from a L-aspartic acid, a L-phenylalanine, a L-valine and a L-tyrosine.

SMILES: CC(C)[C@H](N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@@H](N)CC(=O)O)C(O)=N[C@@H](Cc1ccc(O)cc1)C(=O)O

SELFIES: [C][C][Branch1][C][C][C@H1][Branch2][Ring1][P][N][=C][Branch1][C][O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Branch1][C][O][C@@H1][Branch1][C][N][C][C][=Branch1][C][=O][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/C27H34N4O8/c1-15(2)23(26(37)30-21(27(38)39)13-17-8-10-18(32)11-9-17)31-25(36)20(12-16-6-4-3-5-7-16)29-24(35)19(28)14-22(33)34/h3-11,15,19-21,23,32H,12-14,28H2,1-2H3,(H,29,35)(H,30,37)(H,31,36)(H,33,34)(H,38,39)/t19-,20-,21-,23-/m0/s1

Molecular Properties:
- Polar Surface Area: 208.0 Ų
- LogP: -2.8