3-[[4-[2-(azepan-1-yl)ethanoylamino]phenyl]carbonylamino]propanoic acid

Systemtic Name: 3-[[4-[2-(azepan-1-yl)ethanoylamino]phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[4-[[2-(azepan-1-yl)acetyl]amino]benzoyl]amino]propanoic acid CAS Name: 3-[[[4-[[2-(1-azepanyl)-1-oxoethyl]amino]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[4-[[2-(azepan-1-yl)acetyl]amino]benzoyl]amino]propanoic acid Traditional Name: 3-[[4-[[2-(azepan-1-yl)acetyl]amino]benzoyl]amino]propionic acid Formula: C18H25N3O4 MolecularWeight: 347.4088

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CC(=O)NC2=CC=C(C=C2)C(=O)NCCC(=O)O

Isomeric SMILES

C1CCCN(CC1)CC(=O)NC2=CC=C(C=C2)C(=O)NCCC(=O)O

InChI

InChI=1S/C18H25N3O4/c22-16(13-21-11-3-1-2-4-12-21)20-15-7-5-14(6-8-15)18(25)19-10-9-17(23)24/h5-8H,1-4,9-13H2,(H,19,25)(H,20,22)(H,23,24)