[3-cyclopropyl-4-methyl-2-(phenylmethoxycarbonylamino)-2-propyl-pentanoyl]-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)-oxidanylidene-azanium

Systemtic Name: [3-cyclopropyl-4-methyl-2-(phenylmethoxycarbonylamino)-2-propyl-pentanoyl]-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)-oxidanylidene-azanium Openeye Name: [2-(benzyloxycarbonylamino)-3-cyclopropyl-4-methyl-2-propyl-pentanoyl]-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)-oxo-ammonium CAS Name: [3-cyclopropyl-4-methyl-1-oxo-2-(phenylmethoxycarbonylamino)-2-propylpentyl]-[5-(methylthio)-1,3,4-oxadiazol-2-yl]-oxoammonium IUPAC Name: [3-cyclopropyl-4-methyl-2-(phenylmethoxycarbonylamino)-2-propylpentanoyl]-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)-oxoazanium Traditional Name: [2-(benzyloxycarbonylamino)-3-cyclopropyl-4-methyl-2-propyl-pentanoyl]-keto-[5-(methylthio)-1,3,4-oxadiazol-2-yl]ammonium Formula: C23H31N4O5S+ MolecularWeight: 475.58104

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(C1CC1)C(C)C)(C(=O)[N+](=O)C2=NN=C(O2)SC)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCCC(C(C1CC1)C(C)C)(C(=O)[N+](=O)C2=NN=C(O2)SC)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C23H30N4O5S/c1-5-13-23(18(15(2)3)17-11-12-17,19(28)27(30)20-25-26-22(32-20)33-4)24-21(29)31-14-16-9-7-6-8-10-16/h6-10,15,17-18H,5,11-14H2,1-4H3/p+1