(2S)-2-[[(E)-3-[3,4-bis(oxidanyl)phenyl]prop-2-enoyl]amino]-N'-[(4-methylphenyl)-diphenyl-methyl]-N-(1,3-thiazol-2-yl)pentanediamide

Systemtic Name: (2S)-2-[[(E)-3-[3,4-bis(oxidanyl)phenyl]prop-2-enoyl]amino]-N'-[(4-methylphenyl)-diphenyl-methyl]-N-(1,3-thiazol-2-yl)pentanediamide Openeye Name: (2S)-2-[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]amino]-N'-[diphenyl(p-tolyl)methyl]-N-thiazol-2-yl-pentanediamide CAS Name: (2S)-2-[[(E)-3-(3,4-dihydroxyphenyl)-1-oxoprop-2-enyl]amino]-N'-[(4-methylphenyl)-diphenylmethyl]-N-(2-thiazolyl)pentanediamide IUPAC Name: (2S)-2-[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]amino]-N'-[(4-methylphenyl)-diphenylmethyl]-N-(1,3-thiazol-2-yl)pentanediamide Traditional Name: (2S)-2-[[(E)-3-(3,4-dihydroxyphenyl)acryloyl]amino]-N'-[diphenyl(p-tolyl)methyl]-N-thiazol-2-yl-glutaramide Formula: C37H34N4O5S MolecularWeight: 646.75466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)NC(=O)CCC(C(=O)NC4=NC=CS4)NC(=O)C=CC5=CC(=C(C=C5)O)O

Isomeric SMILES

CC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)NC(=O)CC[C@@H](C(=O)NC4=NC=CS4)NC(=O)/C=C/C5=CC(=C(C=C5)O)O

InChI

InChI=1S/C37H34N4O5S/c1-25-12-16-29(17-13-25)37(27-8-4-2-5-9-27,28-10-6-3-7-11-28)41-34(45)21-18-30(35(46)40-36-38-22-23-47-36)39-33(44)20-15-26-14-19-31(42)32(43)24-26/h2-17,19-20,22-24,30,42-43H,18,21H2,1H3,(H,39,44)(H,41,45)(H,38,40,46)/b20-15+/t30-/m0/s1