4-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylsulfanyl-butanoyl]oxymethyl]benzoic acid

Systemtic Name: 4-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylsulfanyl-butanoyl]oxymethyl]benzoic acid Openeye Name: 4-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylsulfanyl-butanoyl]oxymethyl]benzoic acid CAS Name: 4-[[(2S)-2-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-4-(methylthio)-1-oxobutoxy]methyl]benzoic acid IUPAC Name: 4-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylsulfanylbutanoyl]oxymethyl]benzoic acid Traditional Name: 4-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-(methylthio)butanoyl]oxymethyl]benzoic acid Formula: C28H27NO6S MolecularWeight: 505.58208

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OCC1=CC=C(C=C1)C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

Isomeric SMILES

CSCC[C@@H](C(=O)OCC1=CC=C(C=C1)C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

InChI

InChI=1S/C28H27NO6S/c1-36-15-14-25(27(32)34-16-18-10-12-19(13-11-18)26(30)31)29-28(33)35-17-24-22-8-4-2-6-20(22)21-7-3-5-9-23(21)24/h2-13,24-25H,14-17H2,1H3,(H,29,33)(H,30,31)/t25-/m0/s1