2-[[1-[bis(azanyl)methylideneamino]-4-chloranyl-isoquinolin-7-yl]carbonylamino]-4-methyl-pentanoic acid

Systemtic Name: 2-[[1-[bis(azanyl)methylideneamino]-4-chloranyl-isoquinolin-7-yl]carbonylamino]-4-methyl-pentanoic acid Openeye Name: 2-[(4-chloro-1-guanidino-isoquinoline-7-carbonyl)amino]-4-methyl-pentanoic acid CAS Name: 2-[[[4-chloro-1-(diaminomethylideneamino)-7-isoquinolinyl]-oxomethyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[4-chloro-1-(diaminomethylideneamino)isoquinoline-7-carbonyl]amino]-4-methylpentanoic acid Traditional Name: 2-[(4-chloro-1-guanidino-isoquinoline-7-carbonyl)amino]-4-methyl-valeric acid Formula: C17H20ClN5O3 MolecularWeight: 377.8254

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)C1=CC2=C(C=C1)C(=CN=C2N=C(N)N)Cl

Isomeric SMILES

CC(C)CC(C(=O)O)NC(=O)C1=CC2=C(C=C1)C(=CN=C2N=C(N)N)Cl

InChI

InChI=1S/C17H20ClN5O3/c1-8(2)5-13(16(25)26)22-15(24)9-3-4-10-11(6-9)14(23-17(19)20)21-7-12(10)18/h3-4,6-8,13H,5H2,1-2H3,(H,22,24)(H,25,26)(H4,19,20,21,23)