lithium 2-[[2-(2-methylphenyl)-4-[(1-phenylmethoxycarbonylpyrrolidin-2-yl)methoxymethyl]phenyl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: lithium 2-[[2-(2-methylphenyl)-4-[(1-phenylmethoxycarbonylpyrrolidin-2-yl)methoxymethyl]phenyl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: lithium 2-[[4-[(1-benzyloxycarbonylpyrrolidin-2-yl)methoxymethyl]-2-(o-tolyl)benzoyl]amino]-4-methylsulfanyl-butanoate CAS Name: lithium 2-[[[2-(2-methylphenyl)-4-[(1-phenylmethoxycarbonyl-2-pyrrolidinyl)methoxymethyl]phenyl]-oxomethyl]amino]-4-(methylthio)butanoate IUPAC Name: lithium 2-[[2-(2-methylphenyl)-4-[(1-phenylmethoxycarbonylpyrrolidin-2-yl)methoxymethyl]benzoyl]amino]-4-methylsulfanylbutanoate Traditional Name: lithium 2-[[4-[(1-carbobenzoxypyrrolidin-2-yl)methoxymethyl]-2-(o-tolyl)benzoyl]amino]-4-(methylthio)butyrate Formula: C33H37LiN2O6S MolecularWeight: 596.66268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

[Li+].CC1=CC=CC=C1C2=C(C=CC(=C2)COCC3CCCN3C(=O)OCC4=CC=CC=C4)C(=O)NC(CCSC)C(=O)[O-]

Isomeric SMILES

[Li+].CC1=CC=CC=C1C2=C(C=CC(=C2)COCC3CCCN3C(=O)OCC4=CC=CC=C4)C(=O)NC(CCSC)C(=O)[O-]

InChI

InChI=1S/C33H38N2O6S.Li/c1-23-9-6-7-13-27(23)29-19-25(14-15-28(29)31(36)34-30(32(37)38)16-18-42-2)20-40-22-26-12-8-17-35(26)33(39)41-21-24-10-4-3-5-11-24;/h3-7,9-11,13-15,19,26,30H,8,12,16-18,20-22H2,1-2H3,(H,34,36)(H,37,38);/q;+1/p-1