2-[1-(2-azanylpropanoyl)-2-(5-carbamimidoylpyridin-2-yl)carbonyl-piperidin-4-yl]-2-oxidanylidene-ethanoic acid

Systemtic Name: 2-[1-(2-azanylpropanoyl)-2-(5-carbamimidoylpyridin-2-yl)carbonyl-piperidin-4-yl]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[1-(2-aminopropanoyl)-2-(5-carbamimidoylpyridine-2-carbonyl)-4-piperidyl]-2-oxo-acetic acid CAS Name: 2-[1-(2-amino-1-oxopropyl)-2-[(5-carbamimidoyl-2-pyridinyl)-oxomethyl]-4-piperidinyl]-2-oxoacetic acid IUPAC Name: 2-[1-(2-aminopropanoyl)-2-(5-carbamimidoylpyridine-2-carbonyl)piperidin-4-yl]-2-oxoacetic acid Traditional Name: 2-[1-alanyl-2-(5-amidinopicolinoyl)-4-piperidyl]-2-keto-acetic acid Formula: C17H21N5O5 MolecularWeight: 375.37914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N5O5/c1-8(18)16(25)22-5-4-9(13(23)17(26)27)6-12(22)14(24)11-3-2-10(7-21-11)15(19)20/h2-3,7-9,12H,4-6,18H2,1H3,(H3,19,20)(H,26,27)