1-[2-[(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]propanoyl]-4,4-bis(ethylsulfanyl)piperidine-2-carboxylic acid

Systemtic Name: 1-[2-[(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]propanoyl]-4,4-bis(ethylsulfanyl)piperidine-2-carboxylic acid Openeye Name: 1-[2-[(1-ethoxycarbonyl-3-phenyl-propyl)amino]propanoyl]-4,4-bis(ethylsulfanyl)piperidine-2-carboxylic acid CAS Name: 1-[2-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]-1-oxopropyl]-4,4-bis(ethylthio)-2-piperidinecarboxylic acid IUPAC Name: 1-[2-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]propanoyl]-4,4-bis(ethylsulfanyl)piperidine-2-carboxylic acid Traditional Name: 1-[2-[(1-carbethoxy-3-phenyl-propyl)amino]propanoyl]-4,4-bis(ethylthio)pipecolinic acid Formula: C25H38N2O5S2 MolecularWeight: 510.70962

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2CCC(CC2C(=O)O)(SCC)SCC

Isomeric SMILES

CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2CCC(CC2C(=O)O)(SCC)SCC

InChI

InChI=1S/C25H38N2O5S2/c1-5-32-24(31)20(14-13-19-11-9-8-10-12-19)26-18(4)22(28)27-16-15-25(33-6-2,34-7-3)17-21(27)23(29)30/h8-12,18,20-21,26H,5-7,13-17H2,1-4H3,(H,29,30)