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

Systemtic Name: methyl 3-[[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-indol-5-yl]amino]-2-cyclopentyl-2-methoxy-3-oxidanylidene-propanoate hydrochloride Openeye Name: methyl 3-[[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-indol-5-yl]amino]-2-cyclopentyl-2-methoxy-3-oxo-propanoate hydrochloride CAS Name: 3-[[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-5-indolyl]amino]-2-cyclopentyl-2-methoxy-3-oxopropanoic acid methyl ester hydrochloride IUPAC Name: methyl 3-[[2-[(4-carbamimidoylphenyl)methyl]-1-methylindol-5-yl]amino]-2-cyclopentyl-2-methoxy-3-oxopropanoate hydrochloride Traditional Name: 3-[[2-(4-amidinobenzyl)-1-methyl-indol-5-yl]amino]-2-cyclopentyl-3-keto-2-methoxy-propionic acid methyl ester hydrochloride Formula: C27H33ClN4O4 MolecularWeight: 513.02832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H32N4O4.ClH/c1-31-22(14-17-8-10-18(11-9-17)24(28)29)16-19-15-21(12-13-23(19)31)30-25(32)27(35-3,26(33)34-2)20-6-4-5-7-20;/h8-13,15-16,20H,4-7,14H2,1-3H3,(H3,28,29)(H,30,32);1H