S-[(6S)-7-(2,3-dihydro-1H-inden-2-ylamino)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxidanylidene-heptyl] 2-methylpropanethioate

Systemtic Name: S-[(6S)-7-(2,3-dihydro-1H-inden-2-ylamino)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxidanylidene-heptyl] 2-methylpropanethioate Openeye Name: S-[(6S)-6-(tert-butoxycarbonylamino)-7-(indan-2-ylamino)-7-oxo-heptyl] 2-methylpropanethioate CAS Name: 2-methylpropanethioic acid S-[(6S)-7-(2,3-dihydro-1H-inden-2-ylamino)-6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-7-oxoheptyl] ester IUPAC Name: S-[(6S)-7-(2,3-dihydro-1H-inden-2-ylamino)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxoheptyl] 2-methylpropanethioate Traditional Name: 2-methylpropanethioic acid S-[(6S)-6-(tert-butoxycarbonylamino)-7-(indan-2-ylamino)-7-keto-heptyl] ester Formula: C25H38N2O4S MolecularWeight: 462.64522

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)SCCCCCC(C(=O)NC1CC2=CC=CC=C2C1)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)C(=O)SCCCCC[C@@H](C(=O)NC1CC2=CC=CC=C2C1)NC(=O)OC(C)(C)C

InChI

InChI=1S/C25H38N2O4S/c1-17(2)23(29)32-14-10-6-7-13-21(27-24(30)31-25(3,4)5)22(28)26-20-15-18-11-8-9-12-19(18)16-20/h8-9,11-12,17,20-21H,6-7,10,13-16H2,1-5H3,(H,26,28)(H,27,30)/t21-/m0/s1