S-[(6S)-7-(cyclopentylamino)-6-(9H-fluoren-9-ylmethoxycarbonylamino)-7-oxidanylidene-heptyl] 2-methylpropanethioate

Systemtic Name: S-[(6S)-7-(cyclopentylamino)-6-(9H-fluoren-9-ylmethoxycarbonylamino)-7-oxidanylidene-heptyl] 2-methylpropanethioate Openeye Name: S-[(6S)-7-(cyclopentylamino)-6-(9H-fluoren-9-ylmethoxycarbonylamino)-7-oxo-heptyl] 2-methylpropanethioate CAS Name: 2-methylpropanethioic acid S-[(6S)-7-(cyclopentylamino)-6-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-7-oxoheptyl] ester IUPAC Name: S-[(6S)-7-(cyclopentylamino)-6-(9H-fluoren-9-ylmethoxycarbonylamino)-7-oxoheptyl] 2-methylpropanethioate Traditional Name: 2-methylpropanethioic acid S-[(6S)-7-(cyclopentylamino)-6-(9H-fluoren-9-ylmethoxycarbonylamino)-7-keto-heptyl] ester Formula: C31H40N2O4S MolecularWeight: 536.7253

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)SCCCCCC(C(=O)NC1CCCC1)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

Isomeric SMILES

CC(C)C(=O)SCCCCC[C@@H](C(=O)NC1CCCC1)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

InChI

InChI=1S/C31H40N2O4S/c1-21(2)30(35)38-19-11-3-4-18-28(29(34)32-22-12-5-6-13-22)33-31(36)37-20-27-25-16-9-7-14-23(25)24-15-8-10-17-26(24)27/h7-10,14-17,21-22,27-28H,3-6,11-13,18-20H2,1-2H3,(H,32,34)(H,33,36)/t28-/m0/s1