2-[1-[2-[1-(4-carbamimidoylphenyl)carbonylpyrrolidin-2-yl]ethanoyl]piperidin-4-yl]ethanoic acid

Systemtic Name: 2-[1-[2-[1-(4-carbamimidoylphenyl)carbonylpyrrolidin-2-yl]ethanoyl]piperidin-4-yl]ethanoic acid Openeye Name: 2-[1-[2-[1-(4-carbamimidoylbenzoyl)pyrrolidin-2-yl]acetyl]-4-piperidyl]acetic acid CAS Name: 2-[1-[2-[1-[(4-carbamimidoylphenyl)-oxomethyl]-2-pyrrolidinyl]-1-oxoethyl]-4-piperidinyl]acetic acid IUPAC Name: 2-[1-[2-[1-(4-carbamimidoylbenzoyl)pyrrolidin-2-yl]acetyl]piperidin-4-yl]acetic acid Traditional Name: 2-[1-[2-[1-(4-amidinobenzoyl)pyrrolidin-2-yl]acetyl]-4-piperidyl]acetic acid Formula: C21H28N4O4 MolecularWeight: 400.47142

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N4O4/c22-20(23)15-3-5-16(6-4-15)21(29)25-9-1-2-17(25)13-18(26)24-10-7-14(8-11-24)12-19(27)28/h3-6,14,17H,1-2,7-13H2,(H3,22,23)(H,27,28)