2-[4-[[(2S)-2-(6-azanylhexanoylamino)-3-phenyl-propanoyl]amino]phenyl]ethanoic acid

Systemtic Name: 2-[4-[[(2S)-2-(6-azanylhexanoylamino)-3-phenyl-propanoyl]amino]phenyl]ethanoic acid Openeye Name: 2-[4-[[(2S)-2-(6-aminohexanoylamino)-3-phenyl-propanoyl]amino]phenyl]acetic acid CAS Name: 2-[4-[[(2S)-2-[(6-amino-1-oxohexyl)amino]-1-oxo-3-phenylpropyl]amino]phenyl]acetic acid IUPAC Name: 2-[4-[[(2S)-2-(6-aminohexanoylamino)-3-phenylpropanoyl]amino]phenyl]acetic acid Traditional Name: 2-[4-[[(2S)-2-(6-aminohexanoylamino)-3-phenyl-propanoyl]amino]phenyl]acetic acid Formula: C23H29N3O4 MolecularWeight: 411.49406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)NC2=CC=C(C=C2)CC(=O)O)NC(=O)CCCCCN

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)NC2=CC=C(C=C2)CC(=O)O)NC(=O)CCCCCN

InChI

InChI=1S/C23H29N3O4/c24-14-6-2-5-9-21(27)26-20(15-17-7-3-1-4-8-17)23(30)25-19-12-10-18(11-13-19)16-22(28)29/h1,3-4,7-8,10-13,20H,2,5-6,9,14-16,24H2,(H,25,30)(H,26,27)(H,28,29)/t20-/m0/s1