2-(2-chloroethyloxy)ethyl 2-[[3-phenyl-2-(phenylcarbonylsulfanyl)propanoyl]amino]-3-prop-2-enylsulfanyl-propanoate

Systemtic Name: 2-(2-chloroethyloxy)ethyl 2-[[3-phenyl-2-(phenylcarbonylsulfanyl)propanoyl]amino]-3-prop-2-enylsulfanyl-propanoate Openeye Name: 2-(2-chloroethoxy)ethyl 3-allylsulfanyl-2-[(2-benzoylsulfanyl-3-phenyl-propanoyl)amino]propanoate CAS Name: 2-[[2-(benzoylthio)-1-oxo-3-phenylpropyl]amino]-3-(prop-2-enylthio)propanoic acid 2-(2-chloroethoxy)ethyl ester IUPAC Name: 2-(2-chloroethoxy)ethyl 2-[(2-benzoylsulfanyl-3-phenylpropanoyl)amino]-3-prop-2-enylsulfanylpropanoate Traditional Name: 3-(allylthio)-2-[[2-(benzoylthio)-3-phenyl-propanoyl]amino]propionic acid 2-(2-chloroethoxy)ethyl ester Formula: C26H30ClNO5S2 MolecularWeight: 536.1031

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSCC(C(=O)OCCOCCCl)NC(=O)C(CC1=CC=CC=C1)SC(=O)C2=CC=CC=C2

Isomeric SMILES

C=CCSCC(C(=O)OCCOCCCl)NC(=O)C(CC1=CC=CC=C1)SC(=O)C2=CC=CC=C2

InChI

InChI=1S/C26H30ClNO5S2/c1-2-17-34-19-22(25(30)33-16-15-32-14-13-27)28-24(29)23(18-20-9-5-3-6-10-20)35-26(31)21-11-7-4-8-12-21/h2-12,22-23H,1,13-19H2,(H,28,29)