3-[[5-(6-azanylhexanoylamino)-2-chloranyl-phenyl]carbonylamino]propanoic acid

Systemtic Name: 3-[[5-(6-azanylhexanoylamino)-2-chloranyl-phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[5-(6-aminohexanoylamino)-2-chloro-benzoyl]amino]propanoic acid CAS Name: 3-[[[5-[(6-amino-1-oxohexyl)amino]-2-chlorophenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[5-(6-aminohexanoylamino)-2-chlorobenzoyl]amino]propanoic acid Traditional Name: 3-[[5-(6-aminohexanoylamino)-2-chloro-benzoyl]amino]propionic acid Formula: C16H22ClN3O4 MolecularWeight: 355.81658

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC(=O)CCCCCN)C(=O)NCCC(=O)O)Cl

Isomeric SMILES

C1=CC(=C(C=C1NC(=O)CCCCCN)C(=O)NCCC(=O)O)Cl

InChI

InChI=1S/C16H22ClN3O4/c17-13-6-5-11(20-14(21)4-2-1-3-8-18)10-12(13)16(24)19-9-7-15(22)23/h5-6,10H,1-4,7-9,18H2,(H,19,24)(H,20,21)(H,22,23)