3-[[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-indol-5-yl]-cyclopentyl-amino]-2-methoxy-3-oxidanylidene-propanoic acid

Systemtic Name: 3-[[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-indol-5-yl]-cyclopentyl-amino]-2-methoxy-3-oxidanylidene-propanoic acid Openeye Name: 3-[[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-indol-5-yl]-cyclopentyl-amino]-2-methoxy-3-oxo-propanoic acid CAS Name: 3-[[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-5-indolyl]-cyclopentylamino]-2-methoxy-3-oxopropanoic acid IUPAC Name: 3-[[2-[(4-carbamimidoylphenyl)methyl]-1-methylindol-5-yl]-cyclopentylamino]-2-methoxy-3-oxopropanoic acid Traditional Name: 3-[[2-(4-amidinobenzyl)-1-methyl-indol-5-yl]-cyclopentyl-amino]-3-keto-2-methoxy-propionic acid Formula: C26H30N4O4 MolecularWeight: 462.5408

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)N(C3CCCC3)C(=O)C(C(=O)O)OC)C=C1CC4=CC=C(C=C4)C(=N)N

Isomeric SMILES

CN1C2=C(C=C(C=C2)N(C3CCCC3)C(=O)C(C(=O)O)OC)C=C1CC4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C26H30N4O4/c1-29-21(13-16-7-9-17(10-8-16)24(27)28)15-18-14-20(11-12-22(18)29)30(19-5-3-4-6-19)25(31)23(34-2)26(32)33/h7-12,14-15,19,23H,3-6,13H2,1-2H3,(H3,27,28)(H,32,33)