2-[4-(4-carbamimidoylphenyl)-1-(carboxymethyl)-2-piperazin-1-yl-piperidin-3-yl]ethanoic acid

Systemtic Name: 2-[4-(4-carbamimidoylphenyl)-1-(carboxymethyl)-2-piperazin-1-yl-piperidin-3-yl]ethanoic acid Openeye Name: 2-[4-(4-carbamimidoylphenyl)-1-(carboxymethyl)-2-piperazin-1-yl-3-piperidyl]acetic acid CAS Name: 2-[4-(4-carbamimidoylphenyl)-1-(carboxymethyl)-2-(1-piperazinyl)-3-piperidinyl]acetic acid IUPAC Name: 2-[4-(4-carbamimidoylphenyl)-1-(carboxymethyl)-2-piperazin-1-ylpiperidin-3-yl]acetic acid Traditional Name: 2-[4-(4-amidinophenyl)-1-(carboxymethyl)-2-piperazino-3-piperidyl]acetic acid Formula: C20H29N5O4 MolecularWeight: 403.47536

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C(C1C2=CC=C(C=C2)C(=N)N)CC(=O)O)N3CCNCC3)CC(=O)O

Isomeric SMILES

C1CN(C(C(C1C2=CC=C(C=C2)C(=N)N)CC(=O)O)N3CCNCC3)CC(=O)O

InChI

InChI=1S/C20H29N5O4/c21-19(22)14-3-1-13(2-4-14)15-5-8-25(12-18(28)29)20(16(15)11-17(26)27)24-9-6-23-7-10-24/h1-4,15-16,20,23H,5-12H2,(H3,21,22)(H,26,27)(H,28,29)