tert-butyl 2-[[4-[carbamimidoyl(chloranyl)amino]isoquinolin-7-yl]carbonylamino]-3-phenyl-propanoate

Systemtic Name: tert-butyl 2-[[4-[carbamimidoyl(chloranyl)amino]isoquinolin-7-yl]carbonylamino]-3-phenyl-propanoate Openeye Name: tert-butyl 2-[[4-[carbamimidoyl(chloro)amino]isoquinoline-7-carbonyl]amino]-3-phenyl-propanoate CAS Name: 2-[[[4-[carbamimidoyl(chloro)amino]-7-isoquinolinyl]-oxomethyl]amino]-3-phenylpropanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[4-[carbamimidoyl(chloro)amino]isoquinoline-7-carbonyl]amino]-3-phenylpropanoate Traditional Name: 2-[[4-[amidino(chloro)amino]isoquinoline-7-carbonyl]amino]-3-phenyl-propionic acid tert-butyl ester Formula: C24H26ClN5O3 MolecularWeight: 467.94794

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CC1=CC=CC=C1)NC(=O)C2=CC3=CN=CC(=C3C=C2)N(C(=N)N)Cl

Isomeric SMILES

CC(C)(C)OC(=O)C(CC1=CC=CC=C1)NC(=O)C2=CC3=CN=CC(=C3C=C2)N(C(=N)N)Cl

InChI

InChI=1S/C24H26ClN5O3/c1-24(2,3)33-22(32)19(11-15-7-5-4-6-8-15)29-21(31)16-9-10-18-17(12-16)13-28-14-20(18)30(25)23(26)27/h4-10,12-14,19H,11H2,1-3H3,(H3,26,27)(H,29,31)