2-[6-azanyl-3,7-bis(oxidanylidene)-2-(phenylmethyl)-1,2-diazepan-1-yl]ethanoic acid

Systemtic Name: 2-[6-azanyl-3,7-bis(oxidanylidene)-2-(phenylmethyl)-1,2-diazepan-1-yl]ethanoic acid Openeye Name: 2-(6-amino-2-benzyl-3,7-dioxo-diazepan-1-yl)acetic acid CAS Name: 2-[6-amino-3,7-dioxo-2-(phenylmethyl)-1-diazepanyl]acetic acid IUPAC Name: 2-(6-amino-2-benzyl-3,7-dioxodiazepan-1-yl)acetic acid Traditional Name: 2-(6-amino-2-benzyl-3,7-diketo-diazepan-1-yl)acetic acid Formula: C14H17N3O4 MolecularWeight: 291.30248

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(N(C(=O)C1N)CC(=O)O)CC2=CC=CC=C2

Isomeric SMILES

C1CC(=O)N(N(C(=O)C1N)CC(=O)O)CC2=CC=CC=C2

InChI

InChI=1S/C14H17N3O4/c15-11-6-7-12(18)16(8-10-4-2-1-3-5-10)17(14(11)21)9-13(19)20/h1-5,11H,6-9,15H2,(H,19,20)