tert-butyl N-[1-[3-(3-carbamimidoylphenoxy)propylamino]-3-(1H-imidazol-5-yl)-1-oxidanylidene-propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[1-[3-(3-carbamimidoylphenoxy)propylamino]-3-(1H-imidazol-5-yl)-1-oxidanylidene-propan-2-yl]carbamate Openeye Name: tert-butyl N-[2-[3-(3-carbamimidoylphenoxy)propylamino]-1-(1H-imidazol-5-ylmethyl)-2-oxo-ethyl]carbamate CAS Name: N-[1-[3-(3-carbamimidoylphenoxy)propylamino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-[3-(3-carbamimidoylphenoxy)propylamino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]carbamate Traditional Name: N-[2-[3-(3-amidinophenoxy)propylamino]-1-(1H-imidazol-5-ylmethyl)-2-keto-ethyl]carbamic acid tert-butyl ester Formula: C21H30N6O4 MolecularWeight: 430.5007

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CN=CN1)C(=O)NCCCOC2=CC=CC(=C2)C(=N)N

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1=CN=CN1)C(=O)NCCCOC2=CC=CC(=C2)C(=N)N

InChI

InChI=1S/C21H30N6O4/c1-21(2,3)31-20(29)27-17(11-15-12-24-13-26-15)19(28)25-8-5-9-30-16-7-4-6-14(10-16)18(22)23/h4,6-7,10,12-13,17H,5,8-9,11H2,1-3H3,(H3,22,23)(H,24,26)(H,25,28)(H,27,29)