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

Systemtic Name: 3-[2-[1-methyl-2,5-bis(oxidanylidene)-3H-1,4-benzodiazepin-4-yl]ethanoylamino]propanoic acid Openeye Name: 3-[[2-(1-methyl-2,5-dioxo-3H-1,4-benzodiazepin-4-yl)acetyl]amino]propanoic acid CAS Name: 3-[[2-(1-methyl-2,5-dioxo-3H-1,4-benzodiazepin-4-yl)-1-oxoethyl]amino]propanoic acid IUPAC Name: 3-[[2-(1-methyl-2,5-dioxo-3H-1,4-benzodiazepin-4-yl)acetyl]amino]propanoic acid Traditional Name: 3-[[2-(2,5-diketo-1-methyl-3H-1,4-benzodiazepin-4-yl)acetyl]amino]propionic acid Formula: C15H17N3O5 MolecularWeight: 319.31258

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)CN(C(=O)C2=CC=CC=C21)CC(=O)NCCC(=O)O

Isomeric SMILES

CN1C(=O)CN(C(=O)C2=CC=CC=C21)CC(=O)NCCC(=O)O

InChI

InChI=1S/C15H17N3O5/c1-17-11-5-3-2-4-10(11)15(23)18(9-13(17)20)8-12(19)16-7-6-14(21)22/h2-5H,6-9H2,1H3,(H,16,19)(H,21,22)