methyl (2S)-2-[[(2S)-1-[3,5-bis(chloranyl)phenyl]sulfonylpyrrolidin-2-yl]carbonylamino]-5-oxidanylidene-5-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]pentanoate

Systemtic Name: methyl (2S)-2-[[(2S)-1-[3,5-bis(chloranyl)phenyl]sulfonylpyrrolidin-2-yl]carbonylamino]-5-oxidanylidene-5-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]pentanoate Openeye Name: methyl (2S)-2-[[(2S)-1-(3,5-dichlorophenyl)sulfonylpyrrolidine-2-carbonyl]amino]-5-oxo-5-[4-(2-pyrrolidin-1-ylethyl)-1-piperidyl]pentanoate CAS Name: (2S)-2-[[[(2S)-1-(3,5-dichlorophenyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]amino]-5-oxo-5-[4-[2-(1-pyrrolidinyl)ethyl]-1-piperidinyl]pentanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(2S)-1-(3,5-dichlorophenyl)sulfonylpyrrolidine-2-carbonyl]amino]-5-oxo-5-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]pentanoate Traditional Name: (2S)-2-[[(2S)-1-(3,5-dichlorophenyl)sulfonylprolyl]amino]-5-keto-5-[4-(2-pyrrolidinoethyl)piperidino]valeric acid methyl ester Formula: C28H40Cl2N4O6S MolecularWeight: 631.6114

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCC(=O)N1CCC(CC1)CCN2CCCC2)NC(=O)C3CCCN3S(=O)(=O)C4=CC(=CC(=C4)Cl)Cl

Isomeric SMILES

COC(=O)[C@H](CCC(=O)N1CCC(CC1)CCN2CCCC2)NC(=O)[C@@H]3CCCN3S(=O)(=O)C4=CC(=CC(=C4)Cl)Cl

InChI

InChI=1S/C28H40Cl2N4O6S/c1-40-28(37)24(6-7-26(35)33-15-9-20(10-16-33)8-14-32-11-2-3-12-32)31-27(36)25-5-4-13-34(25)41(38,39)23-18-21(29)17-22(30)19-23/h17-20,24-25H,2-16H2,1H3,(H,31,36)/t24-,25-/m0/s1