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

Systemtic Name: S-[(6S)-7-(1-adamantylamino)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxidanylidene-heptyl] 2-methylpropanethioate Openeye Name: S-[(6S)-7-(1-adamantylamino)-6-(tert-butoxycarbonylamino)-7-oxo-heptyl] 2-methylpropanethioate CAS Name: 2-methylpropanethioic 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] 2-methylpropanethioate Traditional Name: 2-methylpropanethioic acid S-[(6S)-7-(1-adamantylamino)-6-(tert-butoxycarbonylamino)-7-keto-heptyl] ester Formula: C26H44N2O4S MolecularWeight: 480.70356

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H44N2O4S/c1-17(2)23(30)33-10-8-6-7-9-21(27-24(31)32-25(3,4)5)22(29)28-26-14-18-11-19(15-26)13-20(12-18)16-26/h17-21H,6-16H2,1-5H3,(H,27,31)(H,28,29)/t18?,19?,20?,21-,26?/m0/s1