S-[(6S)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxidanylidene-7-(quinolin-3-ylamino)heptyl] 2-methylpropanethioate

Systemtic Name: S-[(6S)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxidanylidene-7-(quinolin-3-ylamino)heptyl] 2-methylpropanethioate Openeye Name: S-[(6S)-6-(tert-butoxycarbonylamino)-7-oxo-7-(3-quinolylamino)heptyl] 2-methylpropanethioate CAS Name: 2-methylpropanethioic acid S-[(6S)-6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-7-oxo-7-(3-quinolinylamino)heptyl] ester IUPAC Name: S-[(6S)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxo-7-(quinolin-3-ylamino)heptyl] 2-methylpropanethioate Traditional Name: 2-methylpropanethioic acid S-[(6S)-6-(tert-butoxycarbonylamino)-7-keto-7-(3-quinolylamino)heptyl] ester Formula: C25H35N3O4S MolecularWeight: 473.6281

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)SCCCCCC(C(=O)NC1=CC2=CC=CC=C2N=C1)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)C(=O)SCCCCC[C@@H](C(=O)NC1=CC2=CC=CC=C2N=C1)NC(=O)OC(C)(C)C

InChI

InChI=1S/C25H35N3O4S/c1-17(2)23(30)33-14-10-6-7-13-21(28-24(31)32-25(3,4)5)22(29)27-19-15-18-11-8-9-12-20(18)26-16-19/h8-9,11-12,15-17,21H,6-7,10,13-14H2,1-5H3,(H,27,29)(H,28,31)/t21-/m0/s1