3-[7-(6-azanylhexyl)-1-methyl-2,5-bis(oxidanylidene)-3H-1,4-benzodiazepin-4-yl]-2-methyl-propanoic acid

Systemtic Name: 3-[7-(6-azanylhexyl)-1-methyl-2,5-bis(oxidanylidene)-3H-1,4-benzodiazepin-4-yl]-2-methyl-propanoic acid Openeye Name: 3-[7-(6-aminohexyl)-1-methyl-2,5-dioxo-3H-1,4-benzodiazepin-4-yl]-2-methyl-propanoic acid CAS Name: 3-[7-(6-aminohexyl)-1-methyl-2,5-dioxo-3H-1,4-benzodiazepin-4-yl]-2-methylpropanoic acid IUPAC Name: 3-[7-(6-aminohexyl)-1-methyl-2,5-dioxo-3H-1,4-benzodiazepin-4-yl]-2-methylpropanoic acid Traditional Name: 3-[7-(6-aminohexyl)-2,5-diketo-1-methyl-3H-1,4-benzodiazepin-4-yl]-2-methyl-propionic acid Formula: C20H29N3O4 MolecularWeight: 375.46196

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1CC(=O)N(C2=C(C1=O)C=C(C=C2)CCCCCCN)C)C(=O)O

Isomeric SMILES

CC(CN1CC(=O)N(C2=C(C1=O)C=C(C=C2)CCCCCCN)C)C(=O)O

InChI

InChI=1S/C20H29N3O4/c1-14(20(26)27)12-23-13-18(24)22(2)17-9-8-15(11-16(17)19(23)25)7-5-3-4-6-10-21/h8-9,11,14H,3-7,10,12-13,21H2,1-2H3,(H,26,27)