[4-[[(2S)-1-methoxy-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]carbamoyl]-3-phenyl-phenyl]-bis[(2-methylpropan-2-yl)oxycarbonyl]-piperidin-2-yloxycarbonyl-azanium

Systemtic Name: [4-[[(2S)-1-methoxy-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]carbamoyl]-3-phenyl-phenyl]-bis[(2-methylpropan-2-yl)oxycarbonyl]-piperidin-2-yloxycarbonyl-azanium Openeye Name: bis(tert-butoxycarbonyl)-[4-[[(1S)-1-methoxycarbonyl-3-methylsulfanyl-propyl]carbamoyl]-3-phenyl-phenyl]-(2-piperidyloxycarbonyl)ammonium CAS Name: [4-[[[(2S)-1-methoxy-4-(methylthio)-1-oxobutan-2-yl]amino]-oxomethyl]-3-phenylphenyl]-bis[(2-methylpropan-2-yl)oxy-oxomethyl]-[oxo(2-piperidinyloxy)methyl]ammonium IUPAC Name: [4-[[(2S)-1-methoxy-4-methylsulfanyl-1-oxobutan-2-yl]carbamoyl]-3-phenylphenyl]-bis[(2-methylpropan-2-yl)oxycarbonyl]-piperidin-2-yloxycarbonylazanium Traditional Name: bis(tert-butoxycarbonyl)-[4-[[(1S)-1-carbomethoxy-3-(methylthio)propyl]carbamoyl]-3-phenyl-phenyl]-(2-piperidyloxycarbonyl)ammonium Formula: C35H48N3O9S+ MolecularWeight: 686.83532

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)[N+](C1=CC(=C(C=C1)C(=O)NC(CCSC)C(=O)OC)C2=CC=CC=C2)(C(=O)OC3CCCCN3)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)[N+](C1=CC(=C(C=C1)C(=O)N[C@@H](CCSC)C(=O)OC)C2=CC=CC=C2)(C(=O)OC3CCCCN3)C(=O)OC(C)(C)C

InChI

InChI=1S/C35H47N3O9S/c1-34(2,3)46-32(42)38(33(43)47-35(4,5)6,31(41)45-28-16-12-13-20-36-28)24-17-18-25(26(22-24)23-14-10-9-11-15-23)29(39)37-27(19-21-48-8)30(40)44-7/h9-11,14-15,17-18,22,27-28,36H,12-13,16,19-21H2,1-8H3/p+1/t27-,28?/m0/s1