methyl 6-[4-[(4-dimethylaminophenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butylamino]-6-oxidanylidene-hexanoate

Systemtic Name: methyl 6-[4-[(4-dimethylaminophenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butylamino]-6-oxidanylidene-hexanoate Openeye Name: methyl 6-[4-[tert-butoxycarbonyl-[(4-dimethylaminophenyl)methyl]amino]butylamino]-6-oxo-hexanoate CAS Name: 6-[4-[(4-dimethylaminophenyl)methyl-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butylamino]-6-oxohexanoic acid methyl ester IUPAC Name: methyl 6-[4-[(4-dimethylaminophenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butylamino]-6-oxohexanoate Traditional Name: 6-[4-[tert-butoxycarbonyl-[4-(dimethylamino)benzyl]amino]butylamino]-6-keto-hexanoic acid methyl ester Formula: C25H41N3O5 MolecularWeight: 463.61014

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(CCCCNC(=O)CCCCC(=O)OC)CC1=CC=C(C=C1)N(C)C

Isomeric SMILES

CC(C)(C)OC(=O)N(CCCCNC(=O)CCCCC(=O)OC)CC1=CC=C(C=C1)N(C)C

InChI

InChI=1S/C25H41N3O5/c1-25(2,3)33-24(31)28(19-20-13-15-21(16-14-20)27(4)5)18-10-9-17-26-22(29)11-7-8-12-23(30)32-6/h13-16H,7-12,17-19H2,1-6H3,(H,26,29)