(phenylmethyl) N-[(E,5S)-7-iodanyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]hept-6-enyl]carbamate

Systemtic Name: (phenylmethyl) N-[(E,5S)-7-iodanyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]hept-6-enyl]carbamate Openeye Name: tert-butyl N-[(1S)-5-(benzyloxycarbonylamino)-1-[(E)-2-iodovinyl]pentyl]carbamate CAS Name: N-[(E,5S)-7-iodo-5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]hept-6-enyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(E,5S)-7-iodo-5-[(2-methylpropan-2-yl)oxycarbonylamino]hept-6-enyl]carbamate Traditional Name: N-[(E,1S)-1-[4-(benzyloxycarbonylamino)butyl]-3-iodo-allyl]carbamic acid tert-butyl ester Formula: C20H29IN2O4 MolecularWeight: 488.35973

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCCCNC(=O)OCC1=CC=CC=C1)C=CI

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)OCC1=CC=CC=C1)/C=C/I

InChI

InChI=1S/C20H29IN2O4/c1-20(2,3)27-19(25)23-17(12-13-21)11-7-8-14-22-18(24)26-15-16-9-5-4-6-10-16/h4-6,9-10,12-13,17H,7-8,11,14-15H2,1-3H3,(H,22,24)(H,23,25)/b13-12+/t17-/m0/s1