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

Systemtic Name: 1-[3,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]-4-naphthalen-1-ylsulfanyl-pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-(tert-butoxycarbonylamino)-3,3-dimethyl-butanoyl]-4-(1-naphthylsulfanyl)pyrrolidine-2-carboxylic acid CAS Name: 1-[3,3-dimethyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxobutyl]-4-(1-naphthalenylthio)-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[3,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]-4-naphthalen-1-ylsulfanylpyrrolidine-2-carboxylic acid Traditional Name: 1-[2-(tert-butoxycarbonylamino)-3,3-dimethyl-butanoyl]-4-(1-naphthylthio)proline Formula: C26H34N2O5S MolecularWeight: 486.62356

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H34N2O5S/c1-25(2,3)21(27-24(32)33-26(4,5)6)22(29)28-15-17(14-19(28)23(30)31)34-20-13-9-11-16-10-7-8-12-18(16)20/h7-13,17,19,21H,14-15H2,1-6H3,(H,27,32)(H,30,31)