2-[[1-[2-[(4-carbamimidoylphenyl)carbonylamino]propanoyl]-2-ethanoyl-piperidin-4-yl]amino]ethanoic acid

Systemtic Name: 2-[[1-[2-[(4-carbamimidoylphenyl)carbonylamino]propanoyl]-2-ethanoyl-piperidin-4-yl]amino]ethanoic acid Openeye Name: 2-[[2-acetyl-1-[2-[(4-carbamimidoylbenzoyl)amino]propanoyl]-4-piperidyl]amino]acetic acid CAS Name: 2-[[2-acetyl-1-[2-[[(4-carbamimidoylphenyl)-oxomethyl]amino]-1-oxopropyl]-4-piperidinyl]amino]acetic acid IUPAC Name: 2-[[2-acetyl-1-[2-[(4-carbamimidoylbenzoyl)amino]propanoyl]piperidin-4-yl]amino]acetic acid Traditional Name: 2-[[2-acetyl-1-[2-[(4-amidinobenzoyl)amino]propanoyl]-4-piperidyl]amino]acetic acid Formula: C20H27N5O5 MolecularWeight: 417.45888

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC(CC1C(=O)C)NCC(=O)O)NC(=O)C2=CC=C(C=C2)C(=N)N

Isomeric SMILES

CC(C(=O)N1CCC(CC1C(=O)C)NCC(=O)O)NC(=O)C2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C20H27N5O5/c1-11(24-19(29)14-5-3-13(4-6-14)18(21)22)20(30)25-8-7-15(23-10-17(27)28)9-16(25)12(2)26/h3-6,11,15-16,23H,7-10H2,1-2H3,(H3,21,22)(H,24,29)(H,27,28)