2-[5-[2-[[3-(1H-imidazol-2-ylamino)-3-oxidanylidene-propyl]amino]-2-oxidanylidene-ethyl]-6-oxidanylidene-11H-benzo[c][1]benzazepin-11-yl]ethanoic acid

Systemtic Name: 2-[5-[2-[[3-(1H-imidazol-2-ylamino)-3-oxidanylidene-propyl]amino]-2-oxidanylidene-ethyl]-6-oxidanylidene-11H-benzo[c][1]benzazepin-11-yl]ethanoic acid Openeye Name: 2-[5-[2-[[3-(1H-imidazol-2-ylamino)-3-oxo-propyl]amino]-2-oxo-ethyl]-6-oxo-11H-benzo[c][1]benzazepin-11-yl]acetic acid CAS Name: 2-[5-[2-[[3-(1H-imidazol-2-ylamino)-3-oxopropyl]amino]-2-oxoethyl]-6-oxo-11H-benzo[c][1]benzazepin-11-yl]acetic acid IUPAC Name: 2-[5-[2-[[3-(1H-imidazol-2-ylamino)-3-oxopropyl]amino]-2-oxoethyl]-6-oxo-11H-benzo[c][1]benzazepin-11-yl]acetic acid Traditional Name: 2-[5-[2-[[3-(1H-imidazol-2-ylamino)-3-keto-propyl]amino]-2-keto-ethyl]-6-keto-11H-benzo[c][1]benzazepin-11-yl]acetic acid Formula: C24H23N5O5 MolecularWeight: 461.46992

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(C3=CC=CC=C3N(C2=O)CC(=O)NCCC(=O)NC4=NC=CN4)CC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(C3=CC=CC=C3N(C2=O)CC(=O)NCCC(=O)NC4=NC=CN4)CC(=O)O

InChI

InChI=1S/C24H23N5O5/c30-20(28-24-26-11-12-27-24)9-10-25-21(31)14-29-19-8-4-3-6-16(19)18(13-22(32)33)15-5-1-2-7-17(15)23(29)34/h1-8,11-12,18H,9-10,13-14H2,(H,25,31)(H,32,33)(H2,26,27,28,30)