methyl 3-[[2-[[(4-carbamimidoylphenyl)amino]methyl]-1-methyl-indol-5-yl]carbonyl-phenyl-amino]propanoate

Systemtic Name: methyl 3-[[2-[[(4-carbamimidoylphenyl)amino]methyl]-1-methyl-indol-5-yl]carbonyl-phenyl-amino]propanoate Openeye Name: methyl 3-(N-[2-[(4-carbamimidoylanilino)methyl]-1-methyl-indole-5-carbonyl]anilino)propanoate CAS Name: 3-(N-[[2-[(4-carbamimidoylanilino)methyl]-1-methyl-5-indolyl]-oxomethyl]anilino)propanoic acid methyl ester IUPAC Name: methyl 3-(N-[2-[(4-carbamimidoylanilino)methyl]-1-methylindole-5-carbonyl]anilino)propanoate Traditional Name: 3-(N-[2-[(4-amidinoanilino)methyl]-1-methyl-indole-5-carbonyl]anilino)propionic acid methyl ester Formula: C28H29N5O3 MolecularWeight: 483.56156

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C(=O)N(CCC(=O)OC)C3=CC=CC=C3)C=C1CNC4=CC=C(C=C4)C(=N)N

Isomeric SMILES

CN1C2=C(C=C(C=C2)C(=O)N(CCC(=O)OC)C3=CC=CC=C3)C=C1CNC4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C28H29N5O3/c1-32-24(18-31-22-11-8-19(9-12-22)27(29)30)17-21-16-20(10-13-25(21)32)28(35)33(15-14-26(34)36-2)23-6-4-3-5-7-23/h3-13,16-17,31H,14-15,18H2,1-2H3,(H3,29,30)