3-[(3S)-2-oxidanylidene-5-phenyl-9-piperazin-1-yl-1,3-dihydro-1,4-benzodiazepin-3-yl]propanoic acid

Systemtic Name: 3-[(3S)-2-oxidanylidene-5-phenyl-9-piperazin-1-yl-1,3-dihydro-1,4-benzodiazepin-3-yl]propanoic acid Openeye Name: 3-[(3S)-2-oxo-5-phenyl-9-piperazin-1-yl-1,3-dihydro-1,4-benzodiazepin-3-yl]propanoic acid CAS Name: 3-[(3S)-2-oxo-5-phenyl-9-(1-piperazinyl)-1,3-dihydro-1,4-benzodiazepin-3-yl]propanoic acid IUPAC Name: 3-[(3S)-2-oxo-5-phenyl-9-piperazin-1-yl-1,3-dihydro-1,4-benzodiazepin-3-yl]propanoic acid Traditional Name: 3-[(3S)-2-keto-5-phenyl-9-piperazino-1,3-dihydro-1,4-benzodiazepin-3-yl]propionic acid Formula: C22H24N4O3 MolecularWeight: 392.45096

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=CC=CC3=C2NC(=O)C(N=C3C4=CC=CC=C4)CCC(=O)O

Isomeric SMILES

C1CN(CCN1)C2=CC=CC3=C2NC(=O)[C@@H](N=C3C4=CC=CC=C4)CCC(=O)O

InChI

InChI=1S/C22H24N4O3/c27-19(28)10-9-17-22(29)25-21-16(20(24-17)15-5-2-1-3-6-15)7-4-8-18(21)26-13-11-23-12-14-26/h1-8,17,23H,9-14H2,(H,25,29)(H,27,28)/t17-/m0/s1