methyl (Z)-5-[(3-iodanyl-1H-indol-2-yl)carbonylamino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-2-enoate

Systemtic Name: methyl (Z)-5-[(3-iodanyl-1H-indol-2-yl)carbonylamino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-2-enoate Openeye Name: methyl (Z)-2-(tert-butoxycarbonylamino)-5-[(3-iodo-1H-indole-2-carbonyl)amino]pent-2-enoate CAS Name: (Z)-5-[[(3-iodo-1H-indol-2-yl)-oxomethyl]amino]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-pentenoic acid methyl ester IUPAC Name: methyl (Z)-5-[(3-iodo-1H-indole-2-carbonyl)amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-2-enoate Traditional Name: (Z)-2-(tert-butoxycarbonylamino)-5-[(3-iodo-1H-indole-2-carbonyl)amino]pent-2-enoic acid methyl ester Formula: C20H24IN3O5 MolecularWeight: 513.32613

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(=CCCNC(=O)C1=C(C2=CC=CC=C2N1)I)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N/C(=C\CCNC(=O)C1=C(C2=CC=CC=C2N1)I)/C(=O)OC

InChI

InChI=1S/C20H24IN3O5/c1-20(2,3)29-19(27)24-14(18(26)28-4)10-7-11-22-17(25)16-15(21)12-8-5-6-9-13(12)23-16/h5-6,8-10,23H,7,11H2,1-4H3,(H,22,25)(H,24,27)/b14-10-