prop-2-enyl (2S)-3-(1H-indol-3-yl)-2-[[(E)-3-[2-[(1S)-2-methoxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazol-4-yl]prop-2-enoyl]amino]propanoate

Systemtic Name: prop-2-enyl (2S)-3-(1H-indol-3-yl)-2-[[(E)-3-[2-[(1S)-2-methoxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazol-4-yl]prop-2-enoyl]amino]propanoate Openeye Name: allyl (2S)-2-[[(E)-3-[2-[(1S)-1-(tert-butoxycarbonylamino)-2-methoxy-ethyl]thiazol-4-yl]prop-2-enoyl]amino]-3-(1H-indol-3-yl)propanoate CAS Name: (2S)-3-(1H-indol-3-yl)-2-[[(E)-3-[2-[(1S)-2-methoxy-1-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]ethyl]-4-thiazolyl]-1-oxoprop-2-enyl]amino]propanoic acid prop-2-enyl ester IUPAC Name: prop-2-enyl (2S)-3-(1H-indol-3-yl)-2-[[(E)-3-[2-[(1S)-2-methoxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazol-4-yl]prop-2-enoyl]amino]propanoate Traditional Name: (2S)-2-[[(E)-3-[2-[(1S)-1-(tert-butoxycarbonylamino)-2-methoxy-ethyl]thiazol-4-yl]acryloyl]amino]-3-(1H-indol-3-yl)propionic acid allyl ester Formula: C28H34N4O6S MolecularWeight: 554.65776

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(COC)C1=NC(=CS1)C=CC(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)OCC=C

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](COC)C1=NC(=CS1)/C=C/C(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)OCC=C

InChI

InChI=1S/C28H34N4O6S/c1-6-13-37-26(34)22(14-18-15-29-21-10-8-7-9-20(18)21)31-24(33)12-11-19-17-39-25(30-19)23(16-36-5)32-27(35)38-28(2,3)4/h6-12,15,17,22-23,29H,1,13-14,16H2,2-5H3,(H,31,33)(H,32,35)/b12-11+/t22-,23-/m0/s1