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

Systemtic Name: 2-azanylethanoyl-[4-[3-[(4-carbamimidoylphenyl)amino]prop-1-ynyl]-2,5-dimethyl-phenyl]-carboxy-propan-2-yl-azanium Openeye Name: (2-aminoacetyl)-[4-[3-(4-carbamimidoylanilino)prop-1-ynyl]-2,5-dimethyl-phenyl]-carboxy-isopropyl-ammonium CAS Name: (2-amino-1-oxoethyl)-[4-[3-(4-carbamimidoylanilino)prop-1-ynyl]-2,5-dimethylphenyl]-carboxy-propan-2-ylammonium IUPAC Name: (2-aminoacetyl)-[4-[3-(4-carbamimidoylanilino)prop-1-ynyl]-2,5-dimethylphenyl]-carboxy-propan-2-ylazanium Traditional Name: [4-[3-(4-amidinoanilino)prop-1-ynyl]-2,5-dimethyl-phenyl]-carboxy-glycyl-isopropyl-ammonium Formula: C24H30N5O3+ MolecularWeight: 436.5267

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C#CCNC2=CC=C(C=C2)C(=N)N)C)[N+](C(C)C)(C(=O)CN)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1C#CCNC2=CC=C(C=C2)C(=N)N)C)[N+](C(C)C)(C(=O)CN)C(=O)O

InChI

InChI=1S/C24H29N5O3/c1-15(2)29(24(31)32,22(30)14-25)21-13-16(3)19(12-17(21)4)6-5-11-28-20-9-7-18(8-10-20)23(26)27/h7-10,12-13,15H,11,14,25H2,1-4H3,(H4-,26,27,28,31,32)/p+1