3-[[3-(5-azanylpentanoylamino)-4-chloranyl-phenyl]carbonylamino]propanoic acid; methanoic acid

Systemtic Name: 3-[[3-(5-azanylpentanoylamino)-4-chloranyl-phenyl]carbonylamino]propanoic acid; methanoic acid Openeye Name: 3-[[3-(5-aminopentanoylamino)-4-chloro-benzoyl]amino]propanoic acid; formic acid CAS Name: 3-[[[3-[(5-amino-1-oxopentyl)amino]-4-chlorophenyl]-oxomethyl]amino]propanoic acid; formic acid IUPAC Name: 3-[[3-(5-aminopentanoylamino)-4-chlorobenzoyl]amino]propanoic acid; formic acid Traditional Name: 3-[[3-(5-aminopentanoylamino)-4-chloro-benzoyl]amino]propionic acid; formic acid Formula: C16H22ClN3O6 MolecularWeight: 387.81538

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)NCCC(=O)O)NC(=O)CCCCN)Cl.C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1C(=O)NCCC(=O)O)NC(=O)CCCCN)Cl.C(=O)O

InChI

InChI=1S/C15H20ClN3O4.CH2O2/c16-11-5-4-10(15(23)18-8-6-14(21)22)9-12(11)19-13(20)3-1-2-7-17;2-1-3/h4-5,9H,1-3,6-8,17H2,(H,18,23)(H,19,20)(H,21,22);1H,(H,2,3)