methyl 1-[3,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]-4-naphthalen-1-ylsulfanyl-pyrrolidine-2-carboxylate

Systemtic Name: methyl 1-[3,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]-4-naphthalen-1-ylsulfanyl-pyrrolidine-2-carboxylate Openeye Name: methyl 1-[2-(tert-butoxycarbonylamino)-3,3-dimethyl-butanoyl]-4-(1-naphthylsulfanyl)pyrrolidine-2-carboxylate CAS Name: 1-[3,3-dimethyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxobutyl]-4-(1-naphthalenylthio)-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[3,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]-4-naphthalen-1-ylsulfanylpyrrolidine-2-carboxylate Traditional Name: 1-[2-(tert-butoxycarbonylamino)-3,3-dimethyl-butanoyl]-4-(1-naphthylthio)pyrrolidine-2-carboxylic acid methyl ester Formula: C27H36N2O5S MolecularWeight: 500.65014

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C(=O)N1CC(CC1C(=O)OC)SC2=CC=CC3=CC=CC=C32)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)C(C(=O)N1CC(CC1C(=O)OC)SC2=CC=CC3=CC=CC=C32)NC(=O)OC(C)(C)C

InChI

InChI=1S/C27H36N2O5S/c1-26(2,3)22(28-25(32)34-27(4,5)6)23(30)29-16-18(15-20(29)24(31)33-7)35-21-14-10-12-17-11-8-9-13-19(17)21/h8-14,18,20,22H,15-16H2,1-7H3,(H,28,32)