(1-azanyl-3-methylsulfanyl-1-oxidanylidene-propan-2-yl)-cyclohexyl-[(2-methylpropan-2-yl)oxycarbonyl]-[1-(phenylmethyl)piperidin-4-yl]carbonyl-azanium

Systemtic Name: (1-azanyl-3-methylsulfanyl-1-oxidanylidene-propan-2-yl)-cyclohexyl-[(2-methylpropan-2-yl)oxycarbonyl]-[1-(phenylmethyl)piperidin-4-yl]carbonyl-azanium Openeye Name: [2-amino-1-(methylsulfanylmethyl)-2-oxo-ethyl]-(1-benzylpiperidine-4-carbonyl)-tert-butoxycarbonyl-cyclohexyl-ammonium CAS Name: [1-amino-3-(methylthio)-1-oxopropan-2-yl]-cyclohexyl-[(2-methylpropan-2-yl)oxy-oxomethyl]-[oxo-[1-(phenylmethyl)-4-piperidinyl]methyl]ammonium IUPAC Name: (1-amino-3-methylsulfanyl-1-oxopropan-2-yl)-(1-benzylpiperidine-4-carbonyl)-cyclohexyl-[(2-methylpropan-2-yl)oxycarbonyl]azanium Traditional Name: [2-amino-2-keto-1-[(methylthio)methyl]ethyl]-(1-benzylisonipecotoyl)-tert-butoxycarbonyl-cyclohexyl-ammonium Formula: C28H44N3O4S+ MolecularWeight: 518.73166

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)[N+](C1CCCCC1)(C(CSC)C(=O)N)C(=O)C2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)[N+](C1CCCCC1)(C(CSC)C(=O)N)C(=O)C2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C28H43N3O4S/c1-28(2,3)35-27(34)31(23-13-9-6-10-14-23,24(20-36-4)25(29)32)26(33)22-15-17-30(18-16-22)19-21-11-7-5-8-12-21/h5,7-8,11-12,22-24H,6,9-10,13-20H2,1-4H3,(H-,29,32)/p+1