2-[2-(2-azanylethanoyl)-1-[4-(C-methylsulfanylcarbonimidoyl)phenyl]carbonyl-piperidin-4-yl]oxyethanoic acid

Systemtic Name: 2-[2-(2-azanylethanoyl)-1-[4-(C-methylsulfanylcarbonimidoyl)phenyl]carbonyl-piperidin-4-yl]oxyethanoic acid Openeye Name: 2-[[2-(2-aminoacetyl)-1-[4-(methylsulfanylcarbonimidoyl)benzoyl]-4-piperidyl]oxy]acetic acid CAS Name: 2-[[2-(2-amino-1-oxoethyl)-1-[[4-[imino-(methylthio)methyl]phenyl]-oxomethyl]-4-piperidinyl]oxy]acetic acid IUPAC Name: 2-[2-(2-aminoacetyl)-1-[4-(C-methylsulfanylcarbonimidoyl)benzoyl]piperidin-4-yl]oxyacetic acid Traditional Name: 2-[[2-glycyl-1-[4-[(methylthio)carbonimidoyl]benzoyl]-4-piperidyl]oxy]acetic acid Formula: C18H23N3O5S MolecularWeight: 393.45732

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=N)C1=CC=C(C=C1)C(=O)N2CCC(CC2C(=O)CN)OCC(=O)O

Isomeric SMILES

CSC(=N)C1=CC=C(C=C1)C(=O)N2CCC(CC2C(=O)CN)OCC(=O)O

InChI

InChI=1S/C18H23N3O5S/c1-27-17(20)11-2-4-12(5-3-11)18(25)21-7-6-13(26-10-16(23)24)8-14(21)15(22)9-19/h2-5,13-14,20H,6-10,19H2,1H3,(H,23,24)