2-[1-(4-azanylbutanoyl)-2-[(4-carbamimidoylphenyl)carbonylamino]piperidin-4-yl]oxyethanoic acid

Systemtic Name: 2-[1-(4-azanylbutanoyl)-2-[(4-carbamimidoylphenyl)carbonylamino]piperidin-4-yl]oxyethanoic acid Openeye Name: 2-[[1-(4-aminobutanoyl)-2-[(4-carbamimidoylbenzoyl)amino]-4-piperidyl]oxy]acetic acid CAS Name: 2-[[1-(4-amino-1-oxobutyl)-2-[[(4-carbamimidoylphenyl)-oxomethyl]amino]-4-piperidinyl]oxy]acetic acid IUPAC Name: 2-[1-(4-aminobutanoyl)-2-[(4-carbamimidoylbenzoyl)amino]piperidin-4-yl]oxyacetic acid Traditional Name: 2-[[2-[(4-amidinobenzoyl)amino]-1-(4-aminobutanoyl)-4-piperidyl]oxy]acetic acid Formula: C19H27N5O5 MolecularWeight: 405.44818

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CC1OCC(=O)O)NC(=O)C2=CC=C(C=C2)C(=N)N)C(=O)CCCN

Isomeric SMILES

C1CN(C(CC1OCC(=O)O)NC(=O)C2=CC=C(C=C2)C(=N)N)C(=O)CCCN

InChI

InChI=1S/C19H27N5O5/c20-8-1-2-16(25)24-9-7-14(29-11-17(26)27)10-15(24)23-19(28)13-5-3-12(4-6-13)18(21)22/h3-6,14-15H,1-2,7-11,20H2,(H3,21,22)(H,23,28)(H,26,27)