(2S)-2-[[(2S)-1-(4-methylphenyl)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-(4-methylphenyl)sulfonylpyrrolidin-2-yl]carbonylamino]-5-oxidanylidene-5-[4-[(3-oxidanylidene-1H-isoindol-2-yl)methyl]piperidin-1-yl]pentanoic acid Openeye Name: (2S)-5-oxo-5-[4-[(1-oxoisoindolin-2-yl)methyl]-1-piperidyl]-2-[[(2S)-1-(p-tolylsulfonyl)pyrrolidine-2-carbonyl]amino]pentanoic acid CAS Name: (2S)-2-[[[(2S)-1-(4-methylphenyl)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-(4-methylphenyl)sulfonylpyrrolidine-2-carbonyl]amino]-5-oxo-5-[4-[(3-oxo-1H-isoindol-2-yl)methyl]piperidin-1-yl]pentanoic acid Traditional Name: (2S)-5-keto-5-[4-[(1-ketoisoindolin-2-yl)methyl]piperidino]-2-[[(2S)-1-tosylprolyl]amino]valeric acid Formula: C31H38N4O7S MolecularWeight: 610.72102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NC(CCC(=O)N3CCC(CC3)CN4CC5=CC=CC=C5C4=O)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H]2C(=O)N[C@@H](CCC(=O)N3CCC(CC3)CN4CC5=CC=CC=C5C4=O)C(=O)O

InChI

InChI=1S/C31H38N4O7S/c1-21-8-10-24(11-9-21)43(41,42)35-16-4-7-27(35)29(37)32-26(31(39)40)12-13-28(36)33-17-14-22(15-18-33)19-34-20-23-5-2-3-6-25(23)30(34)38/h2-3,5-6,8-11,22,26-27H,4,7,12-20H2,1H3,(H,32,37)(H,39,40)/t26-,27-/m0/s1