diethyl 2-[4-[2-azanyl-3-[(1-azanyl-1-oxidanylidene-hexan-2-yl)amino]-3-oxidanylidene-propyl]phenoxy]propanedioate

Systemtic Name: diethyl 2-[4-[2-azanyl-3-[(1-azanyl-1-oxidanylidene-hexan-2-yl)amino]-3-oxidanylidene-propyl]phenoxy]propanedioate Openeye Name: diethyl 2-[4-[2-amino-3-(1-carbamoylpentylamino)-3-oxo-propyl]phenoxy]propanedioate CAS Name: 2-[4-[2-amino-3-[(1-amino-1-oxohexan-2-yl)amino]-3-oxopropyl]phenoxy]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[4-[2-amino-3-[(1-amino-1-oxohexan-2-yl)amino]-3-oxopropyl]phenoxy]propanedioate Traditional Name: 2-[4-[2-amino-3-(1-carbamoylpentylamino)-3-keto-propyl]phenoxy]malonic acid diethyl ester Formula: C22H33N3O7 MolecularWeight: 451.51332

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)N)NC(=O)C(CC1=CC=C(C=C1)OC(C(=O)OCC)C(=O)OCC)N

Isomeric SMILES

CCCCC(C(=O)N)NC(=O)C(CC1=CC=C(C=C1)OC(C(=O)OCC)C(=O)OCC)N

InChI

InChI=1S/C22H33N3O7/c1-4-7-8-17(19(24)26)25-20(27)16(23)13-14-9-11-15(12-10-14)32-18(21(28)30-5-2)22(29)31-6-3/h9-12,16-18H,4-8,13,23H2,1-3H3,(H2,24,26)(H,25,27)