[(E)-4-iodanylbut-3-enyl] (3S)-1-[(2S)-3-(3-hydroxyphenyl)-2-[[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]propanoyl]-1,2-diazinane-3-carboxylate

Systemtic Name: [(E)-4-iodanylbut-3-enyl] (3S)-1-[(2S)-3-(3-hydroxyphenyl)-2-[[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]propanoyl]-1,2-diazinane-3-carboxylate Openeye Name: [(E)-4-iodobut-3-enyl] (3S)-1-[(2S)-2-[[(2S)-2-(tert-butoxycarbonylamino)-3-methyl-butanoyl]amino]-3-(3-hydroxyphenyl)propanoyl]hexahydropyridazine-3-carboxylate CAS Name: (3S)-1-[(2S)-3-(3-hydroxyphenyl)-2-[[(2S)-3-methyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxobutyl]amino]-1-oxopropyl]-3-diazinanecarboxylic acid [(E)-4-iodobut-3-enyl] ester IUPAC Name: [(E)-4-iodobut-3-enyl] (3S)-1-[(2S)-3-(3-hydroxyphenyl)-2-[[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]propanoyl]diazinane-3-carboxylate Traditional Name: (3S)-1-[(2S)-2-[[(2S)-2-(tert-butoxycarbonylamino)-3-methyl-butanoyl]amino]-3-(3-hydroxyphenyl)propanoyl]hexahydropyridazine-3-carboxylic acid [(E)-4-iodobut-3-enyl] ester Formula: C28H41IN4O7 MolecularWeight: 672.55221

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CC1=CC(=CC=C1)O)C(=O)N2CCCC(N2)C(=O)OCCC=CI)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)[C@@H](C(=O)N[C@@H](CC1=CC(=CC=C1)O)C(=O)N2CCC[C@H](N2)C(=O)OCC/C=C/I)NC(=O)OC(C)(C)C

InChI

InChI=1S/C28H41IN4O7/c1-18(2)23(31-27(38)40-28(3,4)5)24(35)30-22(17-19-10-8-11-20(34)16-19)25(36)33-14-9-12-21(32-33)26(37)39-15-7-6-13-29/h6,8,10-11,13,16,18,21-23,32,34H,7,9,12,14-15,17H2,1-5H3,(H,30,35)(H,31,38)/b13-6+/t21-,22-,23-/m0/s1