2-[1-[(2S)-2-[(5-carbamimidoylpyridin-2-yl)carbonylamino]propanoyl]piperidin-4-yl]oxyethanoic acid

Systemtic Name: 2-[1-[(2S)-2-[(5-carbamimidoylpyridin-2-yl)carbonylamino]propanoyl]piperidin-4-yl]oxyethanoic acid Openeye Name: 2-[[1-[(2S)-2-[(5-carbamimidoylpyridine-2-carbonyl)amino]propanoyl]-4-piperidyl]oxy]acetic acid CAS Name: 2-[[1-[(2S)-2-[[(5-carbamimidoyl-2-pyridinyl)-oxomethyl]amino]-1-oxopropyl]-4-piperidinyl]oxy]acetic acid IUPAC Name: 2-[1-[(2S)-2-[(5-carbamimidoylpyridine-2-carbonyl)amino]propanoyl]piperidin-4-yl]oxyacetic acid Traditional Name: 2-[[1-[(2S)-2-[(5-amidinopicolinoyl)amino]propanoyl]-4-piperidyl]oxy]acetic acid Formula: C17H23N5O5 MolecularWeight: 377.39502

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC(CC1)OCC(=O)O)NC(=O)C2=NC=C(C=C2)C(=N)N

Isomeric SMILES

C[C@@H](C(=O)N1CCC(CC1)OCC(=O)O)NC(=O)C2=NC=C(C=C2)C(=N)N

InChI

InChI=1S/C17H23N5O5/c1-10(21-16(25)13-3-2-11(8-20-13)15(18)19)17(26)22-6-4-12(5-7-22)27-9-14(23)24/h2-3,8,10,12H,4-7,9H2,1H3,(H3,18,19)(H,21,25)(H,23,24)/t10-/m0/s1