methyl 3-[7-iodanyl-1-methyl-2,5-bis(oxidanylidene)-3H-1,4-benzodiazepin-4-yl]-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: methyl 3-[7-iodanyl-1-methyl-2,5-bis(oxidanylidene)-3H-1,4-benzodiazepin-4-yl]-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: methyl 2-(benzyloxycarbonylamino)-3-(7-iodo-1-methyl-2,5-dioxo-3H-1,4-benzodiazepin-4-yl)propanoate CAS Name: 3-(7-iodo-1-methyl-2,5-dioxo-3H-1,4-benzodiazepin-4-yl)-2-(phenylmethoxycarbonylamino)propanoic acid methyl ester IUPAC Name: methyl 3-(7-iodo-1-methyl-2,5-dioxo-3H-1,4-benzodiazepin-4-yl)-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: 2-(benzyloxycarbonylamino)-3-(7-iodo-2,5-diketo-1-methyl-3H-1,4-benzodiazepin-4-yl)propionic acid methyl ester Formula: C22H22IN3O6 MolecularWeight: 551.33105

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)CN(C(=O)C2=C1C=CC(=C2)I)CC(C(=O)OC)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CN1C(=O)CN(C(=O)C2=C1C=CC(=C2)I)CC(C(=O)OC)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C22H22IN3O6/c1-25-18-9-8-15(23)10-16(18)20(28)26(12-19(25)27)11-17(21(29)31-2)24-22(30)32-13-14-6-4-3-5-7-14/h3-10,17H,11-13H2,1-2H3,(H,24,30)