tert-butyl 5-azanyl-2-[[1-[bis(azanyl)methylideneamino]-4-chloranyl-isoquinolin-7-yl]sulfonylamino]-5-oxidanylidene-pentanoate

Systemtic Name: tert-butyl 5-azanyl-2-[[1-[bis(azanyl)methylideneamino]-4-chloranyl-isoquinolin-7-yl]sulfonylamino]-5-oxidanylidene-pentanoate Openeye Name: tert-butyl 5-amino-2-[(4-chloro-1-guanidino-7-isoquinolyl)sulfonylamino]-5-oxo-pentanoate CAS Name: 5-amino-2-[[4-chloro-1-(diaminomethylideneamino)-7-isoquinolinyl]sulfonylamino]-5-oxopentanoic acid tert-butyl ester IUPAC Name: tert-butyl 5-amino-2-[[4-chloro-1-(diaminomethylideneamino)isoquinolin-7-yl]sulfonylamino]-5-oxopentanoate Traditional Name: 5-amino-2-[(4-chloro-1-guanidino-7-isoquinolyl)sulfonylamino]-5-keto-valeric acid tert-butyl ester Formula: C19H25ClN6O5S MolecularWeight: 484.957

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CCC(=O)N)NS(=O)(=O)C1=CC2=C(C=C1)C(=CN=C2N=C(N)N)Cl

Isomeric SMILES

CC(C)(C)OC(=O)C(CCC(=O)N)NS(=O)(=O)C1=CC2=C(C=C1)C(=CN=C2N=C(N)N)Cl

InChI

InChI=1S/C19H25ClN6O5S/c1-19(2,3)31-17(28)14(6-7-15(21)27)26-32(29,30)10-4-5-11-12(8-10)16(25-18(22)23)24-9-13(11)20/h4-5,8-9,14,26H,6-7H2,1-3H3,(H2,21,27)(H4,22,23,24,25)