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

Systemtic Name: methyl (2S)-2-[[(2S,4R)-1-[(E,4R)-5-(methoxycarbonyldisulfanyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pent-2-enyl]-4-[2-(4-propan-2-ylphenyl)ethyl]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-[2-(4-isopropylphenyl)ethyl]pyrrolidine-2-carbonyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[[(2S,4R)-1-[(E,4R)-5-(methoxycarbonyldisulfanyl)-4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]pent-2-enyl]-4-[2-(4-propan-2-ylphenyl)ethyl]-2-pyrrolidinyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(2S,4R)-1-[(E,4R)-5-(methoxycarbonyldisulfanyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pent-2-enyl]-4-[2-(4-propan-2-ylphenyl)ethyl]pyrrolidine-2-carbonyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[(2S,4R)-1-[(E,4R)-4-(tert-butoxycarbonylamino)-5-(carbomethoxydisulfanyl)pent-2-enyl]-4-(2-p-cumenylethyl)prolyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C34H53N3O7S3 MolecularWeight: 711.99552

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)CCC2CC(N(C2)CC=CC(CSSC(=O)OC)NC(=O)OC(C)(C)C)C(=O)NC(CCSC)C(=O)OC

Isomeric SMILES

CC(C)C1=CC=C(C=C1)CC[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/C34H53N3O7S3/c1-23(2)26-15-13-24(14-16-26)11-12-25-20-29(30(38)36-28(17-19-45-8)31(39)42-6)37(21-25)18-9-10-27(22-46-47-33(41)43-7)35-32(40)44-34(3,4)5/h9-10,13-16,23,25,27-29H,11-12,17-22H2,1-8H3,(H,35,40)(H,36,38)/b10-9+/t25-,27-,28+,29+/m1/s1