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

Systemtic Name: 3-[(3S)-1-methyl-2,5-bis(oxidanylidene)-3,4-dihydro-1,4-benzodiazepin-3-yl]propanoic acid Openeye Name: 3-[(3S)-1-methyl-2,5-dioxo-3,4-dihydro-1,4-benzodiazepin-3-yl]propanoic acid CAS Name: 3-[(3S)-1-methyl-2,5-dioxo-3,4-dihydro-1,4-benzodiazepin-3-yl]propanoic acid IUPAC Name: 3-[(3S)-1-methyl-2,5-dioxo-3,4-dihydro-1,4-benzodiazepin-3-yl]propanoic acid Traditional Name: 3-[(3S)-2,5-diketo-1-methyl-3,4-dihydro-1,4-benzodiazepin-3-yl]propionic acid Formula: C13H14N2O4 MolecularWeight: 262.26126

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=O)NC(C1=O)CCC(=O)O

Isomeric SMILES

CN1C2=CC=CC=C2C(=O)N[C@H](C1=O)CCC(=O)O

InChI

InChI=1S/C13H14N2O4/c1-15-10-5-3-2-4-8(10)12(18)14-9(13(15)19)6-7-11(16)17/h2-5,9H,6-7H2,1H3,(H,14,18)(H,16,17)/t9-/m0/s1