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

Systemtic Name: ethyl (2S)-3-[4-[[3,5-bis(chloranyl)pyridin-4-yl]carbonylamino]phenyl]-2-[[(2S,4S)-4-(cyclobutylamino)-1-(3-methylsulfonylphenyl)sulfonyl-pyrrolidin-2-yl]carbonylamino]propanoate Openeye Name: ethyl (2S)-2-[[(2S,4S)-4-(cyclobutylamino)-1-(3-methylsulfonylphenyl)sulfonyl-pyrrolidine-2-carbonyl]amino]-3-[4-[(3,5-dichloropyridine-4-carbonyl)amino]phenyl]propanoate CAS Name: (2S)-2-[[[(2S,4S)-4-(cyclobutylamino)-1-(3-methylsulfonylphenyl)sulfonyl-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)-4-(cyclobutylamino)-1-(3-methylsulfonylphenyl)sulfonylpyrrolidine-2-carbonyl]amino]-3-[4-[(3,5-dichloropyridine-4-carbonyl)amino]phenyl]propanoate Traditional Name: (2S)-2-[[(2S,4S)-4-(cyclobutylamino)-1-(3-mesylphenyl)sulfonyl-prolyl]amino]-3-[4-[(3,5-dichloroisonicotinoyl)amino]phenyl]propionic acid ethyl ester Formula: C33H37Cl2N5O8S2 MolecularWeight: 766.71158

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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)S(=O)(=O)C)NC5CCC5

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)S(=O)(=O)C)NC5CCC5

InChI

InChI=1S/C33H37Cl2N5O8S2/c1-3-48-33(43)28(14-20-10-12-22(13-11-20)38-32(42)30-26(34)17-36-18-27(30)35)39-31(41)29-15-23(37-21-6-4-7-21)19-40(29)50(46,47)25-9-5-8-24(16-25)49(2,44)45/h5,8-13,16-18,21,23,28-29,37H,3-4,6-7,14-15,19H2,1-2H3,(H,38,42)(H,39,41)/t23-,28-,29-/m0/s1