2-azanylethanoyl-[4-[3-[(4-carbamimidoylphenyl)amino]prop-1-ynyl]-2,5-dimethyl-phenyl]-ethoxycarbonyl-propan-2-yl-azanium

Systemtic Name: 2-azanylethanoyl-[4-[3-[(4-carbamimidoylphenyl)amino]prop-1-ynyl]-2,5-dimethyl-phenyl]-ethoxycarbonyl-propan-2-yl-azanium Openeye Name: (2-aminoacetyl)-[4-[3-(4-carbamimidoylanilino)prop-1-ynyl]-2,5-dimethyl-phenyl]-ethoxycarbonyl-isopropyl-ammonium CAS Name: (2-amino-1-oxoethyl)-[4-[3-(4-carbamimidoylanilino)prop-1-ynyl]-2,5-dimethylphenyl]-ethoxycarbonyl-propan-2-ylammonium IUPAC Name: (2-aminoacetyl)-[4-[3-(4-carbamimidoylanilino)prop-1-ynyl]-2,5-dimethylphenyl]-ethoxycarbonyl-propan-2-ylazanium Traditional Name: [4-[3-(4-amidinoanilino)prop-1-ynyl]-2,5-dimethyl-phenyl]-carbethoxy-glycyl-isopropyl-ammonium Formula: C26H34N5O3+ MolecularWeight: 464.57986

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)[N+](C1=C(C=C(C(=C1)C)C#CCNC2=CC=C(C=C2)C(=N)N)C)(C(C)C)C(=O)CN

Isomeric SMILES

CCOC(=O)[N+](C1=C(C=C(C(=C1)C)C#CCNC2=CC=C(C=C2)C(=N)N)C)(C(C)C)C(=O)CN

InChI

InChI=1S/C26H34N5O3/c1-6-34-26(33)31(17(2)3,24(32)16-27)23-15-18(4)21(14-19(23)5)8-7-13-30-22-11-9-20(10-12-22)25(28)29/h9-12,14-15,17,30H,6,13,16,27H2,1-5H3,(H3,28,29)/q+1