(2S)-2-[[(2S)-1-[3,5-bis(chloranyl)phenyl]sulfonylpyrrolidin-2-yl]carbonylamino]-5-oxidanylidene-5-[4-[(3-oxidanylidene-1H-isoindol-2-yl)methyl]piperidin-1-yl]pentanoic acid

Systemtic Name: (2S)-2-[[(2S)-1-[3,5-bis(chloranyl)phenyl]sulfonylpyrrolidin-2-yl]carbonylamino]-5-oxidanylidene-5-[4-[(3-oxidanylidene-1H-isoindol-2-yl)methyl]piperidin-1-yl]pentanoic acid Openeye Name: (2S)-2-[[(2S)-1-(3,5-dichlorophenyl)sulfonylpyrrolidine-2-carbonyl]amino]-5-oxo-5-[4-[(1-oxoisoindolin-2-yl)methyl]-1-piperidyl]pentanoic acid CAS Name: (2S)-2-[[[(2S)-1-(3,5-dichlorophenyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]amino]-5-oxo-5-[4-[(3-oxo-1H-isoindol-2-yl)methyl]-1-piperidinyl]pentanoic acid IUPAC Name: (2S)-2-[[(2S)-1-(3,5-dichlorophenyl)sulfonylpyrrolidine-2-carbonyl]amino]-5-oxo-5-[4-[(3-oxo-1H-isoindol-2-yl)methyl]piperidin-1-yl]pentanoic acid Traditional Name: (2S)-2-[[(2S)-1-(3,5-dichlorophenyl)sulfonylprolyl]amino]-5-keto-5-[4-[(1-ketoisoindolin-2-yl)methyl]piperidino]valeric acid Formula: C30H34Cl2N4O7S MolecularWeight: 665.58456

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)C2=CC(=CC(=C2)Cl)Cl)C(=O)NC(CCC(=O)N3CCC(CC3)CN4CC5=CC=CC=C5C4=O)C(=O)O

Isomeric SMILES

C1C[C@H](N(C1)S(=O)(=O)C2=CC(=CC(=C2)Cl)Cl)C(=O)N[C@@H](CCC(=O)N3CCC(CC3)CN4CC5=CC=CC=C5C4=O)C(=O)O

InChI

InChI=1S/C30H34Cl2N4O7S/c31-21-14-22(32)16-23(15-21)44(42,43)36-11-3-6-26(36)28(38)33-25(30(40)41)7-8-27(37)34-12-9-19(10-13-34)17-35-18-20-4-1-2-5-24(20)29(35)39/h1-2,4-5,14-16,19,25-26H,3,6-13,17-18H2,(H,33,38)(H,40,41)/t25-,26-/m0/s1