S-pyridin-4-yl (2S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(phenylmethoxycarbonylamino)pentanethioate

Systemtic Name: S-pyridin-4-yl (2S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(phenylmethoxycarbonylamino)pentanethioate Openeye Name: S-(4-pyridyl) (2S)-2-(benzyloxycarbonylamino)-5-(tert-butoxycarbonylamino)pentanethioate CAS Name: (2S)-5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-(phenylmethoxycarbonylamino)pentanethioic acid S-pyridin-4-yl ester IUPAC Name: S-pyridin-4-yl (2S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(phenylmethoxycarbonylamino)pentanethioate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-5-(tert-butoxycarbonylamino)pentanethioic acid S-(4-pyridyl) ester Formula: C23H29N3O5S MolecularWeight: 459.55846

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCC(C(=O)SC1=CC=NC=C1)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)NCCC[C@@H](C(=O)SC1=CC=NC=C1)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C23H29N3O5S/c1-23(2,3)31-21(28)25-13-7-10-19(20(27)32-18-11-14-24-15-12-18)26-22(29)30-16-17-8-5-4-6-9-17/h4-6,8-9,11-12,14-15,19H,7,10,13,16H2,1-3H3,(H,25,28)(H,26,29)/t19-/m0/s1