tert-butyl 2-[[4-[carbamimidoyl(chloranyl)amino]isoquinolin-7-yl]carbonylamino]-4-methyl-pentanoate

Systemtic Name: tert-butyl 2-[[4-[carbamimidoyl(chloranyl)amino]isoquinolin-7-yl]carbonylamino]-4-methyl-pentanoate Openeye Name: tert-butyl 2-[[4-[carbamimidoyl(chloro)amino]isoquinoline-7-carbonyl]amino]-4-methyl-pentanoate CAS Name: 2-[[[4-[carbamimidoyl(chloro)amino]-7-isoquinolinyl]-oxomethyl]amino]-4-methylpentanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[4-[carbamimidoyl(chloro)amino]isoquinoline-7-carbonyl]amino]-4-methylpentanoate Traditional Name: 2-[[4-[amidino(chloro)amino]isoquinoline-7-carbonyl]amino]-4-methyl-valeric acid tert-butyl ester Formula: C21H28ClN5O3 MolecularWeight: 433.93172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28ClN5O3/c1-12(2)8-16(19(29)30-21(3,4)5)26-18(28)13-6-7-15-14(9-13)10-25-11-17(15)27(22)20(23)24/h6-7,9-12,16H,8H2,1-5H3,(H3,23,24)(H,26,28)