1-[2-(ethanoylsulfanylmethyl)-5-[(4-methoxyphenyl)methoxycarbonylamino]pentanoyl]piperidine-2-carboxylic acid

Systemtic Name: 1-[2-(ethanoylsulfanylmethyl)-5-[(4-methoxyphenyl)methoxycarbonylamino]pentanoyl]piperidine-2-carboxylic acid Openeye Name: 1-[2-(acetylsulfanylmethyl)-5-[(4-methoxyphenyl)methoxycarbonylamino]pentanoyl]piperidine-2-carboxylic acid CAS Name: 1-[2-[(acetylthio)methyl]-5-[[(4-methoxyphenyl)methoxy-oxomethyl]amino]-1-oxopentyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[2-(acetylsulfanylmethyl)-5-[(4-methoxyphenyl)methoxycarbonylamino]pentanoyl]piperidine-2-carboxylic acid Traditional Name: 1-[2-[(acetylthio)methyl]-5-(p-anisyloxycarbonylamino)pentanoyl]pipecolinic acid Formula: C23H32N2O7S MolecularWeight: 480.57438

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(CCCNC(=O)OCC1=CC=C(C=C1)OC)C(=O)N2CCCCC2C(=O)O

Isomeric SMILES

CC(=O)SCC(CCCNC(=O)OCC1=CC=C(C=C1)OC)C(=O)N2CCCCC2C(=O)O

InChI

InChI=1S/C23H32N2O7S/c1-16(26)33-15-18(21(27)25-13-4-3-7-20(25)22(28)29)6-5-12-24-23(30)32-14-17-8-10-19(31-2)11-9-17/h8-11,18,20H,3-7,12-15H2,1-2H3,(H,24,30)(H,28,29)