Molecule ID: 7276368

IUPAC Name: (4S)-4-amino-5-[[2-[[(1S)-1-carboxy-2-phenylethyl]amino]-2-oxoethyl]amino]-5-oxopentanoic acid

Description: The molecule is a tripeptide consisting of L-glutamic acid, glycine and L-phenylalanine residues joined in sequence. It derives from a L-glutamic acid and a L-phenylalanine.

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

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

InChI: InChI=1S/C16H21N3O6/c17-11(6-7-14(21)22)15(23)18-9-13(20)19-12(16(24)25)8-10-4-2-1-3-5-10/h1-5,11-12H,6-9,17H2,(H,18,23)(H,19,20)(H,21,22)(H,24,25)/t11-,12-/m0/s1

Molecular Properties:
- Polar Surface Area: 159.0 Ų
- LogP: -3.3