ethyl (2S)-3-[4-[[3,5-bis(chloranyl)pyridin-4-yl]carbonylamino]phenyl]-2-[[(2S,4S)-1-(3-cyanophenyl)sulfonyl-4-cyclopentylsulfanyl-pyrrolidin-2-yl]carbonylamino]propanoate

Systemtic Name: ethyl (2S)-3-[4-[[3,5-bis(chloranyl)pyridin-4-yl]carbonylamino]phenyl]-2-[[(2S,4S)-1-(3-cyanophenyl)sulfonyl-4-cyclopentylsulfanyl-pyrrolidin-2-yl]carbonylamino]propanoate Openeye Name: ethyl (2S)-2-[[(2S,4S)-1-(3-cyanophenyl)sulfonyl-4-cyclopentylsulfanyl-pyrrolidine-2-carbonyl]amino]-3-[4-[(3,5-dichloropyridine-4-carbonyl)amino]phenyl]propanoate CAS Name: (2S)-2-[[[(2S,4S)-1-(3-cyanophenyl)sulfonyl-4-(cyclopentylthio)-2-pyrrolidinyl]-oxomethyl]amino]-3-[4-[[(3,5-dichloro-4-pyridinyl)-oxomethyl]amino]phenyl]propanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[[(2S,4S)-1-(3-cyanophenyl)sulfonyl-4-cyclopentylsulfanylpyrrolidine-2-carbonyl]amino]-3-[4-[(3,5-dichloropyridine-4-carbonyl)amino]phenyl]propanoate Traditional Name: (2S)-2-[[(2S,4S)-1-(3-cyanophenyl)sulfonyl-4-(cyclopentylthio)prolyl]amino]-3-[4-[(3,5-dichloroisonicotinoyl)amino]phenyl]propionic acid ethyl ester Formula: C34H35Cl2N5O6S2 MolecularWeight: 744.7076

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=C(C=C1)NC(=O)C2=C(C=NC=C2Cl)Cl)NC(=O)C3CC(CN3S(=O)(=O)C4=CC=CC(=C4)C#N)SC5CCCC5

Isomeric SMILES

CCOC(=O)[C@H](CC1=CC=C(C=C1)NC(=O)C2=C(C=NC=C2Cl)Cl)NC(=O)[C@@H]3C[C@@H](CN3S(=O)(=O)C4=CC=CC(=C4)C#N)SC5CCCC5

InChI

InChI=1S/C34H35Cl2N5O6S2/c1-2-47-34(44)29(15-21-10-12-23(13-11-21)39-33(43)31-27(35)18-38-19-28(31)36)40-32(42)30-16-25(48-24-7-3-4-8-24)20-41(30)49(45,46)26-9-5-6-22(14-26)17-37/h5-6,9-14,18-19,24-25,29-30H,2-4,7-8,15-16,20H2,1H3,(H,39,43)(H,40,42)/t25-,29-,30-/m0/s1