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

Systemtic Name: 6-[4-[(4-dimethylaminophenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butylamino]-6-oxidanylidene-hexanoic acid Openeye Name: 6-[4-[tert-butoxycarbonyl-[(4-dimethylaminophenyl)methyl]amino]butylamino]-6-oxo-hexanoic acid CAS Name: 6-[4-[(4-dimethylaminophenyl)methyl-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butylamino]-6-oxohexanoic acid IUPAC Name: 6-[4-[(4-dimethylaminophenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butylamino]-6-oxohexanoic acid Traditional Name: 6-[4-[tert-butoxycarbonyl-[4-(dimethylamino)benzyl]amino]butylamino]-6-keto-hexanoic acid Formula: C24H39N3O5 MolecularWeight: 449.58356

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H39N3O5/c1-24(2,3)32-23(31)27(18-19-12-14-20(15-13-19)26(4)5)17-9-8-16-25-21(28)10-6-7-11-22(29)30/h12-15H,6-11,16-18H2,1-5H3,(H,25,28)(H,29,30)