methyl 2-azido-3-[2-iodanyl-3-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enyl-amino]phenyl]-3-oxidanyl-propanoate

Systemtic Name: methyl 2-azido-3-[2-iodanyl-3-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enyl-amino]phenyl]-3-oxidanyl-propanoate Openeye Name: methyl 3-[3-[allyl(tert-butoxycarbonyl)amino]-2-iodo-phenyl]-2-azido-3-hydroxy-propanoate CAS Name: 2-azido-3-hydroxy-3-[2-iodo-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]-prop-2-enylamino]phenyl]propanoic acid methyl ester IUPAC Name: methyl 2-azido-3-hydroxy-3-[2-iodo-3-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]phenyl]propanoate Traditional Name: 3-[3-[allyl(tert-butoxycarbonyl)amino]-2-iodo-phenyl]-2-azido-3-hydroxy-propionic acid methyl ester Formula: C18H23IN4O5 MolecularWeight: 502.30349

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(CC=C)C1=CC=CC(=C1I)C(C(C(=O)OC)N=[N+]=[N-])O

Isomeric SMILES

CC(C)(C)OC(=O)N(CC=C)C1=CC=CC(=C1I)C(C(C(=O)OC)N=[N+]=[N-])O

InChI

InChI=1S/C18H23IN4O5/c1-6-10-23(17(26)28-18(2,3)4)12-9-7-8-11(13(12)19)15(24)14(21-22-20)16(25)27-5/h6-9,14-15,24H,1,10H2,2-5H3