2-[3-(3-azanyl-3-oxidanylidene-propyl)-5-(3-hydroxyphenyl)-2-oxidanylidene-3H-1,4-benzodiazepin-1-yl]ethanoic acid

Systemtic Name: 2-[3-(3-azanyl-3-oxidanylidene-propyl)-5-(3-hydroxyphenyl)-2-oxidanylidene-3H-1,4-benzodiazepin-1-yl]ethanoic acid Openeye Name: 2-[3-(3-amino-3-oxo-propyl)-5-(3-hydroxyphenyl)-2-oxo-3H-1,4-benzodiazepin-1-yl]acetic acid CAS Name: 2-[3-(3-amino-3-oxopropyl)-5-(3-hydroxyphenyl)-2-oxo-3H-1,4-benzodiazepin-1-yl]acetic acid IUPAC Name: 2-[3-(3-amino-3-oxopropyl)-5-(3-hydroxyphenyl)-2-oxo-3H-1,4-benzodiazepin-1-yl]acetic acid Traditional Name: 2-[3-(3-amino-3-keto-propyl)-5-(3-hydroxyphenyl)-2-keto-3H-1,4-benzodiazepin-1-yl]acetic acid Formula: C20H19N3O5 MolecularWeight: 381.38196

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC(C(=O)N2CC(=O)O)CCC(=O)N)C3=CC(=CC=C3)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC(C(=O)N2CC(=O)O)CCC(=O)N)C3=CC(=CC=C3)O

InChI

InChI=1S/C20H19N3O5/c21-17(25)9-8-15-20(28)23(11-18(26)27)16-7-2-1-6-14(16)19(22-15)12-4-3-5-13(24)10-12/h1-7,10,15,24H,8-9,11H2,(H2,21,25)(H,26,27)