tert-butyl 5-azanyl-2-[[4-[carbamimidoyl(chloranyl)amino]isoquinolin-7-yl]sulfonylamino]-5-oxidanylidene-pentanoate

Systemtic Name: tert-butyl 5-azanyl-2-[[4-[carbamimidoyl(chloranyl)amino]isoquinolin-7-yl]sulfonylamino]-5-oxidanylidene-pentanoate Openeye Name: tert-butyl 5-amino-2-[[4-[carbamimidoyl(chloro)amino]-7-isoquinolyl]sulfonylamino]-5-oxo-pentanoate CAS Name: 5-amino-2-[[4-[carbamimidoyl(chloro)amino]-7-isoquinolinyl]sulfonylamino]-5-oxopentanoic acid tert-butyl ester IUPAC Name: tert-butyl 5-amino-2-[[4-[carbamimidoyl(chloro)amino]isoquinolin-7-yl]sulfonylamino]-5-oxopentanoate Traditional Name: 2-[[4-[amidino(chloro)amino]-7-isoquinolyl]sulfonylamino]-5-amino-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=CN=CC(=C2C=C1)N(C(=N)N)Cl

Isomeric SMILES

CC(C)(C)OC(=O)C(CCC(=O)N)NS(=O)(=O)C1=CC2=CN=CC(=C2C=C1)N(C(=N)N)Cl

InChI

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