tert-butyl 2-[[1-[3-(ethylcarbamoylsulfanyl)-2-methyl-propanoyl]pyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoate

Systemtic Name: tert-butyl 2-[[1-[3-(ethylcarbamoylsulfanyl)-2-methyl-propanoyl]pyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoate Openeye Name: tert-butyl 2-[[1-[3-(ethylcarbamoylsulfanyl)-2-methyl-propanoyl]pyrrolidine-2-carbonyl]amino]-3-phenyl-propanoate CAS Name: 2-[[[1-[3-(ethylcarbamoylthio)-2-methyl-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-phenylpropanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[1-[3-(ethylcarbamoylsulfanyl)-2-methylpropanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoate Traditional Name: 2-[[1-[3-(ethylcarbamoylthio)-2-methyl-propanoyl]prolyl]amino]-3-phenyl-propionic acid tert-butyl ester Formula: C25H37N3O5S MolecularWeight: 491.64338

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)SCC(C)C(=O)N1CCCC1C(=O)NC(CC2=CC=CC=C2)C(=O)OC(C)(C)C

Isomeric SMILES

CCNC(=O)SCC(C)C(=O)N1CCCC1C(=O)NC(CC2=CC=CC=C2)C(=O)OC(C)(C)C

InChI

InChI=1S/C25H37N3O5S/c1-6-26-24(32)34-16-17(2)22(30)28-14-10-13-20(28)21(29)27-19(23(31)33-25(3,4)5)15-18-11-8-7-9-12-18/h7-9,11-12,17,19-20H,6,10,13-16H2,1-5H3,(H,26,32)(H,27,29)