2-(1-azanyl-3-phenyl-propyl)-8-[2,5-bis(oxidanylidene)pyrrol-1-yl]-2-methyl-3-oxidanylidene-octanoic acid

Systemtic Name: 2-(1-azanyl-3-phenyl-propyl)-8-[2,5-bis(oxidanylidene)pyrrol-1-yl]-2-methyl-3-oxidanylidene-octanoic acid Openeye Name: 2-(1-amino-3-phenyl-propyl)-8-(2,5-dioxopyrrol-1-yl)-2-methyl-3-oxo-octanoic acid CAS Name: 2-(1-amino-3-phenylpropyl)-8-(2,5-dioxo-1-pyrrolyl)-2-methyl-3-oxooctanoic acid IUPAC Name: 2-(1-amino-3-phenylpropyl)-8-(2,5-dioxopyrrol-1-yl)-2-methyl-3-oxooctanoic acid Traditional Name: 2-(1-amino-3-phenyl-propyl)-3-keto-8-maleimido-2-methyl-caprylic acid Formula: C22H28N2O5 MolecularWeight: 400.46812

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CCC1=CC=CC=C1)N)(C(=O)CCCCCN2C(=O)C=CC2=O)C(=O)O

Isomeric SMILES

CC(C(CCC1=CC=CC=C1)N)(C(=O)CCCCCN2C(=O)C=CC2=O)C(=O)O

InChI

InChI=1S/C22H28N2O5/c1-22(21(28)29,17(23)12-11-16-8-4-2-5-9-16)18(25)10-6-3-7-15-24-19(26)13-14-20(24)27/h2,4-5,8-9,13-14,17H,3,6-7,10-12,15,23H2,1H3,(H,28,29)