ditert-butyl 2-[[4-[[(2S)-1-methoxy-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]carbamoyl]-3-phenyl-phenyl]-methyl-amino]piperazine-1,2-dicarboxylate

Systemtic Name: ditert-butyl 2-[[4-[[(2S)-1-methoxy-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]carbamoyl]-3-phenyl-phenyl]-methyl-amino]piperazine-1,2-dicarboxylate Openeye Name: ditert-butyl 2-[4-[[(1S)-1-methoxycarbonyl-3-methylsulfanyl-propyl]carbamoyl]-N-methyl-3-phenyl-anilino]piperazine-1,2-dicarboxylate CAS Name: 2-[4-[[[(2S)-1-methoxy-4-(methylthio)-1-oxobutan-2-yl]amino]-oxomethyl]-N-methyl-3-phenylanilino]piperazine-1,2-dicarboxylic acid ditert-butyl ester IUPAC Name: ditert-butyl 2-[4-[[(2S)-1-methoxy-4-methylsulfanyl-1-oxobutan-2-yl]carbamoyl]-N-methyl-3-phenylanilino]piperazine-1,2-dicarboxylate Traditional Name: 2-[4-[[(1S)-1-carbomethoxy-3-(methylthio)propyl]carbamoyl]-N-methyl-3-phenyl-anilino]piperazine-1,2-dicarboxylic acid ditert-butyl ester Formula: C34H48N4O7S MolecularWeight: 656.83252

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1(CNCCN1C(=O)OC(C)(C)C)N(C)C2=CC(=C(C=C2)C(=O)NC(CCSC)C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)C1(CNCCN1C(=O)OC(C)(C)C)N(C)C2=CC(=C(C=C2)C(=O)N[C@@H](CCSC)C(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C34H48N4O7S/c1-32(2,3)44-30(41)34(22-35-18-19-38(34)31(42)45-33(4,5)6)37(7)24-15-16-25(26(21-24)23-13-11-10-12-14-23)28(39)36-27(17-20-46-9)29(40)43-8/h10-16,21,27,35H,17-20,22H2,1-9H3,(H,36,39)/t27-,34?/m0/s1