methyl (2S)-2-[[(2S,4R)-1-[(E,4R)-4-azanyl-5-sulfanyl-pent-2-enyl]-4-phenyl-pyrrolidin-2-yl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2S)-2-[[(2S,4R)-1-[(E,4R)-4-azanyl-5-sulfanyl-pent-2-enyl]-4-phenyl-pyrrolidin-2-yl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2S)-2-[[(2S,4R)-1-[(E,4R)-4-amino-5-sulfanyl-pent-2-enyl]-4-phenyl-pyrrolidine-2-carbonyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[[(2S,4R)-1-[(E,4R)-4-amino-5-mercaptopent-2-enyl]-4-phenyl-2-pyrrolidinyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(2S,4R)-1-[(E,4R)-4-amino-5-sulfanylpent-2-enyl]-4-phenylpyrrolidine-2-carbonyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[(2S,4R)-1-[(E,4R)-4-amino-5-mercapto-pent-2-enyl]-4-phenyl-prolyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C22H33N3O3S2 MolecularWeight: 451.64572

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)C1CC(CN1CC=CC(CS)N)C2=CC=CC=C2

Isomeric SMILES

COC(=O)[C@H](CCSC)NC(=O)[C@@H]1C[C@@H](CN1C/C=C/[C@H](CS)N)C2=CC=CC=C2

InChI

InChI=1S/C22H33N3O3S2/c1-28-22(27)19(10-12-30-2)24-21(26)20-13-17(16-7-4-3-5-8-16)14-25(20)11-6-9-18(23)15-29/h3-9,17-20,29H,10-15,23H2,1-2H3,(H,24,26)/b9-6+/t17-,18+,19-,20-/m0/s1