(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-[(4-methoxyphenyl)methylsulfanyl]hexanoic acid

Systemtic Name: (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-[(4-methoxyphenyl)methylsulfanyl]hexanoic acid Openeye Name: (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-[(4-methoxyphenyl)methylsulfanyl]hexanoic acid CAS Name: (2S)-2-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-6-[(4-methoxyphenyl)methylthio]hexanoic acid IUPAC Name: (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-[(4-methoxyphenyl)methylsulfanyl]hexanoic acid Traditional Name: (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-(p-anisylthio)hexanoic acid Formula: C29H31NO5S MolecularWeight: 505.62514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CSCCCCC(C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

Isomeric SMILES

COC1=CC=C(C=C1)CSCCCC[C@@H](C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

InChI

InChI=1S/C29H31NO5S/c1-34-21-15-13-20(14-16-21)19-36-17-7-6-12-27(28(31)32)30-29(33)35-18-26-24-10-4-2-8-22(24)23-9-3-5-11-25(23)26/h2-5,8-11,13-16,26-27H,6-7,12,17-19H2,1H3,(H,30,33)(H,31,32)/t27-/m0/s1