S-[(6S)-7-(1-adamantylamino)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxidanylidene-heptyl] ethanethioate

Systemtic Name: S-[(6S)-7-(1-adamantylamino)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxidanylidene-heptyl] ethanethioate Openeye Name: S-[(6S)-7-(1-adamantylamino)-6-(tert-butoxycarbonylamino)-7-oxo-heptyl] ethanethioate CAS Name: ethanethioic acid S-[(6S)-7-(1-adamantylamino)-6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-7-oxoheptyl] ester IUPAC Name: S-[(6S)-7-(1-adamantylamino)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxoheptyl] ethanethioate Traditional Name: ethanethioic acid S-[(6S)-7-(1-adamantylamino)-6-(tert-butoxycarbonylamino)-7-keto-heptyl] ester Formula: C24H40N2O4S MolecularWeight: 452.6504

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCCCCC(C(=O)NC12CC3CC(C1)CC(C3)C2)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(=O)SCCCCC[C@@H](C(=O)NC12CC3CC(C1)CC(C3)C2)NC(=O)OC(C)(C)C

InChI

InChI=1S/C24H40N2O4S/c1-16(27)31-9-7-5-6-8-20(25-22(29)30-23(2,3)4)21(28)26-24-13-17-10-18(14-24)12-19(11-17)15-24/h17-20H,5-15H2,1-4H3,(H,25,29)(H,26,28)/t17?,18?,19?,20-,24?/m0/s1