2-[1-[(2S)-1-(4-carbamimidoylphenyl)carbonylpyrrolidin-2-yl]carbonylpiperidin-4-yl]oxyethanoic acid

Systemtic Name: 2-[1-[(2S)-1-(4-carbamimidoylphenyl)carbonylpyrrolidin-2-yl]carbonylpiperidin-4-yl]oxyethanoic acid Openeye Name: 2-[[1-[(2S)-1-(4-carbamimidoylbenzoyl)pyrrolidine-2-carbonyl]-4-piperidyl]oxy]acetic acid CAS Name: 2-[[1-[[(2S)-1-[(4-carbamimidoylphenyl)-oxomethyl]-2-pyrrolidinyl]-oxomethyl]-4-piperidinyl]oxy]acetic acid IUPAC Name: 2-[1-[(2S)-1-(4-carbamimidoylbenzoyl)pyrrolidine-2-carbonyl]piperidin-4-yl]oxyacetic acid Traditional Name: 2-[[1-[(2S)-1-(4-amidinobenzoyl)prolyl]-4-piperidyl]oxy]acetic acid Formula: C20H26N4O5 MolecularWeight: 402.44424

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2=CC=C(C=C2)C(=N)N)C(=O)N3CCC(CC3)OCC(=O)O

Isomeric SMILES

C1C[C@H](N(C1)C(=O)C2=CC=C(C=C2)C(=N)N)C(=O)N3CCC(CC3)OCC(=O)O

InChI

InChI=1S/C20H26N4O5/c21-18(22)13-3-5-14(6-4-13)19(27)24-9-1-2-16(24)20(28)23-10-7-15(8-11-23)29-12-17(25)26/h3-6,15-16H,1-2,7-12H2,(H3,21,22)(H,25,26)/t16-/m0/s1