3-[[3-[4-[bis(azanyl)methylideneamino]butanoylamino]phenyl]carbonylamino]propanoic acid

Systemtic Name: 3-[[3-[4-[bis(azanyl)methylideneamino]butanoylamino]phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[3-(4-guanidinobutanoylamino)benzoyl]amino]propanoic acid CAS Name: 3-[[[3-[[4-(diaminomethylideneamino)-1-oxobutyl]amino]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[3-[4-(diaminomethylideneamino)butanoylamino]benzoyl]amino]propanoic acid Traditional Name: 3-[[3-(4-guanidinobutanoylamino)benzoyl]amino]propionic acid Formula: C15H21N5O4 MolecularWeight: 335.35834

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N5O4/c16-15(17)19-7-2-5-12(21)20-11-4-1-3-10(9-11)14(24)18-8-6-13(22)23/h1,3-4,9H,2,5-8H2,(H,18,24)(H,20,21)(H,22,23)(H4,16,17,19)