2-[1-[(2S)-1-(4-carbamimidoylphenyl)carbonyl-2-methyl-pyrrolidin-2-yl]carbonylpiperidin-4-yl]oxyethanoic acid

Systemtic Name: 2-[1-[(2S)-1-(4-carbamimidoylphenyl)carbonyl-2-methyl-pyrrolidin-2-yl]carbonylpiperidin-4-yl]oxyethanoic acid Openeye Name: 2-[[1-[(2S)-1-(4-carbamimidoylbenzoyl)-2-methyl-pyrrolidine-2-carbonyl]-4-piperidyl]oxy]acetic acid CAS Name: 2-[[1-[[(2S)-1-[(4-carbamimidoylphenyl)-oxomethyl]-2-methyl-2-pyrrolidinyl]-oxomethyl]-4-piperidinyl]oxy]acetic acid IUPAC Name: 2-[1-[(2S)-1-(4-carbamimidoylbenzoyl)-2-methylpyrrolidine-2-carbonyl]piperidin-4-yl]oxyacetic acid Traditional Name: 2-[[1-[(2S)-1-(4-amidinobenzoyl)-2-methyl-prolyl]-4-piperidyl]oxy]acetic acid Formula: C21H28N4O5 MolecularWeight: 416.47082

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCN1C(=O)C2=CC=C(C=C2)C(=N)N)C(=O)N3CCC(CC3)OCC(=O)O

Isomeric SMILES

C[C@]1(CCCN1C(=O)C2=CC=C(C=C2)C(=N)N)C(=O)N3CCC(CC3)OCC(=O)O

InChI

InChI=1S/C21H28N4O5/c1-21(20(29)24-11-7-16(8-12-24)30-13-17(26)27)9-2-10-25(21)19(28)15-5-3-14(4-6-15)18(22)23/h3-6,16H,2,7-13H2,1H3,(H3,22,23)(H,26,27)/t21-/m0/s1