2-[1-[2-azanyl-3-(4-hydroxyphenyl)propanoyl]-2-(5-carbamimidoylpyridin-2-yl)carbonyl-piperidin-4-yl]-2-oxidanylidene-ethanoic acid

Systemtic Name: 2-[1-[2-azanyl-3-(4-hydroxyphenyl)propanoyl]-2-(5-carbamimidoylpyridin-2-yl)carbonyl-piperidin-4-yl]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[1-[2-amino-3-(4-hydroxyphenyl)propanoyl]-2-(5-carbamimidoylpyridine-2-carbonyl)-4-piperidyl]-2-oxo-acetic acid CAS Name: 2-[1-[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]-2-[(5-carbamimidoyl-2-pyridinyl)-oxomethyl]-4-piperidinyl]-2-oxoacetic acid IUPAC Name: 2-[1-[2-amino-3-(4-hydroxyphenyl)propanoyl]-2-(5-carbamimidoylpyridine-2-carbonyl)piperidin-4-yl]-2-oxoacetic acid Traditional Name: 2-[2-(5-amidinopicolinoyl)-1-tyrosyl-4-piperidyl]-2-keto-acetic acid Formula: C23H25N5O6 MolecularWeight: 467.4745

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CC1C(=O)C(=O)O)C(=O)C2=NC=C(C=C2)C(=N)N)C(=O)C(CC3=CC=C(C=C3)O)N

Isomeric SMILES

C1CN(C(CC1C(=O)C(=O)O)C(=O)C2=NC=C(C=C2)C(=N)N)C(=O)C(CC3=CC=C(C=C3)O)N

InChI

InChI=1S/C23H25N5O6/c24-16(9-12-1-4-15(29)5-2-12)22(32)28-8-7-13(19(30)23(33)34)10-18(28)20(31)17-6-3-14(11-27-17)21(25)26/h1-6,11,13,16,18,29H,7-10,24H2,(H3,25,26)(H,33,34)