methyl (2S)-2-[[(2S,4R)-4-(4-tert-butylphenyl)-1-[(E,4R)-5-(methoxycarbonyldisulfanyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pent-2-enyl]pyrrolidin-2-yl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2S)-2-[[(2S,4R)-4-(4-tert-butylphenyl)-1-[(E,4R)-5-(methoxycarbonyldisulfanyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pent-2-enyl]pyrrolidin-2-yl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2S)-2-[[(2S,4R)-1-[(E,4R)-4-(tert-butoxycarbonylamino)-5-(methoxycarbonyldisulfanyl)pent-2-enyl]-4-(4-tert-butylphenyl)pyrrolidine-2-carbonyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[[(2S,4R)-4-(4-tert-butylphenyl)-1-[(E,4R)-5-(methoxycarbonyldisulfanyl)-4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]pent-2-enyl]-2-pyrrolidinyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(2S,4R)-4-(4-tert-butylphenyl)-1-[(E,4R)-5-(methoxycarbonyldisulfanyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pent-2-enyl]pyrrolidine-2-carbonyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[(2S,4R)-1-[(E,4R)-4-(tert-butoxycarbonylamino)-5-(carbomethoxydisulfanyl)pent-2-enyl]-4-(4-tert-butylphenyl)prolyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C33H51N3O7S3 MolecularWeight: 697.96894

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2CC(N(C2)CC=CC(CSSC(=O)OC)NC(=O)OC(C)(C)C)C(=O)NC(CCSC)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C33H51N3O7S3/c1-32(2,3)24-14-12-22(13-15-24)23-19-27(28(37)35-26(16-18-44-9)29(38)41-7)36(20-23)17-10-11-25(21-45-46-31(40)42-8)34-30(39)43-33(4,5)6/h10-15,23,25-27H,16-21H2,1-9H3,(H,34,39)(H,35,37)/b11-10+/t23-,25+,26-,27-/m0/s1