3-[[3-[6-[bis(azanyl)methylideneamino]hexanoylamino]phenyl]carbonylamino]propanoic acid

Systemtic Name: 3-[[3-[6-[bis(azanyl)methylideneamino]hexanoylamino]phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[3-(6-guanidinohexanoylamino)benzoyl]amino]propanoic acid CAS Name: 3-[[[3-[[6-(diaminomethylideneamino)-1-oxohexyl]amino]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[3-[6-(diaminomethylideneamino)hexanoylamino]benzoyl]amino]propanoic acid Traditional Name: 3-[[3-(6-guanidinohexanoylamino)benzoyl]amino]propionic acid Formula: C17H25N5O4 MolecularWeight: 363.4115

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)CCCCCN=C(N)N)C(=O)NCCC(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)CCCCCN=C(N)N)C(=O)NCCC(=O)O

InChI

InChI=1S/C17H25N5O4/c18-17(19)21-9-3-1-2-7-14(23)22-13-6-4-5-12(11-13)16(26)20-10-8-15(24)25/h4-6,11H,1-3,7-10H2,(H,20,26)(H,22,23)(H,24,25)(H4,18,19,21)