5-azanyl-2-[[1-[bis(azanyl)methylideneamino]-4-chloranyl-isoquinolin-7-yl]sulfonylamino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-azanyl-2-[[1-[bis(azanyl)methylideneamino]-4-chloranyl-isoquinolin-7-yl]sulfonylamino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-amino-2-[(4-chloro-1-guanidino-7-isoquinolyl)sulfonylamino]-5-oxo-pentanoic acid CAS Name: 5-amino-2-[[4-chloro-1-(diaminomethylideneamino)-7-isoquinolinyl]sulfonylamino]-5-oxopentanoic acid IUPAC Name: 5-amino-2-[[4-chloro-1-(diaminomethylideneamino)isoquinolin-7-yl]sulfonylamino]-5-oxopentanoic acid Traditional Name: 5-amino-2-[(4-chloro-1-guanidino-7-isoquinolyl)sulfonylamino]-5-keto-valeric acid Formula: C15H17ClN6O5S MolecularWeight: 428.85068

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1S(=O)(=O)NC(CCC(=O)N)C(=O)O)C(=NC=C2Cl)N=C(N)N

Isomeric SMILES

C1=CC2=C(C=C1S(=O)(=O)NC(CCC(=O)N)C(=O)O)C(=NC=C2Cl)N=C(N)N

InChI

InChI=1S/C15H17ClN6O5S/c16-10-6-20-13(21-15(18)19)9-5-7(1-2-8(9)10)28(26,27)22-11(14(24)25)3-4-12(17)23/h1-2,5-6,11,22H,3-4H2,(H2,17,23)(H,24,25)(H4,18,19,20,21)