tert-butyl (2S,4S)-2-[[(2S)-1-methoxy-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]carbamoyl]-4-(4-propan-2-ylphenyl)sulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (2S,4S)-2-[[(2S)-1-methoxy-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]carbamoyl]-4-(4-propan-2-ylphenyl)sulfanyl-pyrrolidine-1-carboxylate Openeye Name: tert-butyl (2S,4S)-4-(4-isopropylphenyl)sulfanyl-2-[[(1S)-1-methoxycarbonyl-3-methylsulfanyl-propyl]carbamoyl]pyrrolidine-1-carboxylate CAS Name: (2S,4S)-2-[[[(2S)-1-methoxy-4-(methylthio)-1-oxobutan-2-yl]amino]-oxomethyl]-4-[(4-propan-2-ylphenyl)thio]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S,4S)-2-[[(2S)-1-methoxy-4-methylsulfanyl-1-oxobutan-2-yl]carbamoyl]-4-(4-propan-2-ylphenyl)sulfanylpyrrolidine-1-carboxylate Traditional Name: (2S,4S)-2-[[(1S)-1-carbomethoxy-3-(methylthio)propyl]carbamoyl]-4-(p-cumenylthio)pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C25H38N2O5S2 MolecularWeight: 510.70962

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)SC2CC(N(C2)C(=O)OC(C)(C)C)C(=O)NC(CCSC)C(=O)OC

Isomeric SMILES

CC(C)C1=CC=C(C=C1)S[C@H]2C[C@H](N(C2)C(=O)OC(C)(C)C)C(=O)N[C@@H](CCSC)C(=O)OC

InChI

InChI=1S/C25H38N2O5S2/c1-16(2)17-8-10-18(11-9-17)34-19-14-21(27(15-19)24(30)32-25(3,4)5)22(28)26-20(12-13-33-7)23(29)31-6/h8-11,16,19-21H,12-15H2,1-7H3,(H,26,28)/t19-,20-,21-/m0/s1