methyl (2S)-2-[[(2S,4R)-4-(4-tert-butylphenyl)pyrrolidin-2-yl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2S)-2-[[(2S,4R)-4-(4-tert-butylphenyl)pyrrolidin-2-yl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2S)-2-[[(2S,4R)-4-(4-tert-butylphenyl)pyrrolidine-2-carbonyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[[(2S,4R)-4-(4-tert-butylphenyl)-2-pyrrolidinyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(2S,4R)-4-(4-tert-butylphenyl)pyrrolidine-2-carbonyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[(2S,4R)-4-(4-tert-butylphenyl)prolyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C21H32N2O3S MolecularWeight: 392.55538

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2CC(NC2)C(=O)NC(CCSC)C(=O)OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)[C@H]2C[C@H](NC2)C(=O)N[C@@H](CCSC)C(=O)OC

InChI

InChI=1S/C21H32N2O3S/c1-21(2,3)16-8-6-14(7-9-16)15-12-18(22-13-15)19(24)23-17(10-11-27-5)20(25)26-4/h6-9,15,17-18,22H,10-13H2,1-5H3,(H,23,24)/t15-,17-,18-/m0/s1