3-[[1-[bis(azanyl)methylideneamino]-4-chloranyl-isoquinolin-7-yl]carbonylamino]propanoic acid

Systemtic Name: 3-[[1-[bis(azanyl)methylideneamino]-4-chloranyl-isoquinolin-7-yl]carbonylamino]propanoic acid Openeye Name: 3-[(4-chloro-1-guanidino-isoquinoline-7-carbonyl)amino]propanoic acid CAS Name: 3-[[[4-chloro-1-(diaminomethylideneamino)-7-isoquinolinyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[4-chloro-1-(diaminomethylideneamino)isoquinoline-7-carbonyl]amino]propanoic acid Traditional Name: 3-[(4-chloro-1-guanidino-isoquinoline-7-carbonyl)amino]propionic acid Formula: C14H14ClN5O3 MolecularWeight: 335.74566

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(=O)NCCC(=O)O)C(=NC=C2Cl)N=C(N)N

Isomeric SMILES

C1=CC2=C(C=C1C(=O)NCCC(=O)O)C(=NC=C2Cl)N=C(N)N

InChI

InChI=1S/C14H14ClN5O3/c15-10-6-19-12(20-14(16)17)9-5-7(1-2-8(9)10)13(23)18-4-3-11(21)22/h1-2,5-6H,3-4H2,(H,18,23)(H,21,22)(H4,16,17,19,20)