2-[4-[4-(4-carbamimidoylphenyl)piperazin-1-yl]-3-(1-methoxy-1-oxidanylidene-propan-2-yl)piperidin-1-yl]ethanoic acid

Systemtic Name: 2-[4-[4-(4-carbamimidoylphenyl)piperazin-1-yl]-3-(1-methoxy-1-oxidanylidene-propan-2-yl)piperidin-1-yl]ethanoic acid Openeye Name: 2-[4-[4-(4-carbamimidoylphenyl)piperazin-1-yl]-3-(2-methoxy-1-methyl-2-oxo-ethyl)-1-piperidyl]acetic acid CAS Name: 2-[4-[4-(4-carbamimidoylphenyl)-1-piperazinyl]-3-(1-methoxy-1-oxopropan-2-yl)-1-piperidinyl]acetic acid IUPAC Name: 2-[4-[4-(4-carbamimidoylphenyl)piperazin-1-yl]-3-(1-methoxy-1-oxopropan-2-yl)piperidin-1-yl]acetic acid Traditional Name: 2-[4-[4-(4-amidinophenyl)piperazino]-3-(2-keto-2-methoxy-1-methyl-ethyl)piperidino]acetic acid Formula: C22H33N5O4 MolecularWeight: 431.52852

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CN(CCC1N2CCN(CC2)C3=CC=C(C=C3)C(=N)N)CC(=O)O)C(=O)OC

Isomeric SMILES

CC(C1CN(CCC1N2CCN(CC2)C3=CC=C(C=C3)C(=N)N)CC(=O)O)C(=O)OC

InChI

InChI=1S/C22H33N5O4/c1-15(22(30)31-2)18-13-25(14-20(28)29)8-7-19(18)27-11-9-26(10-12-27)17-5-3-16(4-6-17)21(23)24/h3-6,15,18-19H,7-14H2,1-2H3,(H3,23,24)(H,28,29)