[2-(tert-butylcarbamoylamino)-2-oxidanylidene-ethyl] (2S)-3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: [2-(tert-butylcarbamoylamino)-2-oxidanylidene-ethyl] (2S)-3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: [2-(tert-butylcarbamoylamino)-2-oxo-ethyl] (2S)-2-(benzyloxycarbonylamino)-3-(1H-indol-3-yl)propanoate CAS Name: (2S)-3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoic acid [2-[[(tert-butylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(tert-butylcarbamoylamino)-2-oxoethyl] (2S)-3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-3-(1H-indol-3-yl)propionic acid [2-(tert-butylcarbamoylamino)-2-keto-ethyl] ester Formula: C26H30N4O6 MolecularWeight: 494.5396

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)NC(=O)COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)NC(=O)NC(=O)COC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C26H30N4O6/c1-26(2,3)30-24(33)29-22(31)16-35-23(32)21(13-18-14-27-20-12-8-7-11-19(18)20)28-25(34)36-15-17-9-5-4-6-10-17/h4-12,14,21,27H,13,15-16H2,1-3H3,(H,28,34)(H2,29,30,31,33)/t21-/m0/s1