1-[[1-[3,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]-4-naphthalen-1-ylsulfanyl-pyrrolidin-2-yl]carbonylamino]-2-ethenyl-cyclopropane-1-carboxylic acid

Systemtic Name: 1-[[1-[3,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]-4-naphthalen-1-ylsulfanyl-pyrrolidin-2-yl]carbonylamino]-2-ethenyl-cyclopropane-1-carboxylic acid Openeye Name: 1-[[1-[2-(tert-butoxycarbonylamino)-3,3-dimethyl-butanoyl]-4-(1-naphthylsulfanyl)pyrrolidine-2-carbonyl]amino]-2-vinyl-cyclopropanecarboxylic acid CAS Name: 1-[[[1-[3,3-dimethyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxobutyl]-4-(1-naphthalenylthio)-2-pyrrolidinyl]-oxomethyl]amino]-2-ethenyl-1-cyclopropanecarboxylic acid IUPAC Name: 1-[[1-[3,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]-4-naphthalen-1-ylsulfanylpyrrolidine-2-carbonyl]amino]-2-ethenylcyclopropane-1-carboxylic acid Traditional Name: 1-[[1-[2-(tert-butoxycarbonylamino)-3,3-dimethyl-butanoyl]-4-(1-naphthylthio)prolyl]amino]-2-vinyl-cyclopropanecarboxylic acid Formula: C32H41N3O6S MolecularWeight: 595.74944

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C(=O)N1CC(CC1C(=O)NC2(CC2C=C)C(=O)O)SC3=CC=CC4=CC=CC=C43)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)C(C(=O)N1CC(CC1C(=O)NC2(CC2C=C)C(=O)O)SC3=CC=CC4=CC=CC=C43)NC(=O)OC(C)(C)C

InChI

InChI=1S/C32H41N3O6S/c1-8-20-17-32(20,28(38)39)34-26(36)23-16-21(42-24-15-11-13-19-12-9-10-14-22(19)24)18-35(23)27(37)25(30(2,3)4)33-29(40)41-31(5,6)7/h8-15,20-21,23,25H,1,16-18H2,2-7H3,(H,33,40)(H,34,36)(H,38,39)