2-[2-(2-azanylethanoyl)-1-[4-(2-azanylethyl)phenyl]carbonyl-4-(carboxymethyl)-3-oxidanylidene-piperazin-2-yl]ethanoic acid

Systemtic Name: 2-[2-(2-azanylethanoyl)-1-[4-(2-azanylethyl)phenyl]carbonyl-4-(carboxymethyl)-3-oxidanylidene-piperazin-2-yl]ethanoic acid Openeye Name: 2-[2-(2-aminoacetyl)-1-[4-(2-aminoethyl)benzoyl]-4-(carboxymethyl)-3-oxo-piperazin-2-yl]acetic acid CAS Name: 2-[1-[[4-(2-aminoethyl)phenyl]-oxomethyl]-2-(2-amino-1-oxoethyl)-4-(carboxymethyl)-3-oxo-2-piperazinyl]acetic acid IUPAC Name: 2-[2-(2-aminoacetyl)-1-[4-(2-aminoethyl)benzoyl]-4-(carboxymethyl)-3-oxopiperazin-2-yl]acetic acid Traditional Name: 2-[1-[4-(2-aminoethyl)benzoyl]-4-(carboxymethyl)-2-glycyl-3-keto-piperazin-2-yl]acetic acid Formula: C19H24N4O7 MolecularWeight: 420.41646

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C(=O)N1CC(=O)O)(CC(=O)O)C(=O)CN)C(=O)C2=CC=C(C=C2)CCN

Isomeric SMILES

C1CN(C(C(=O)N1CC(=O)O)(CC(=O)O)C(=O)CN)C(=O)C2=CC=C(C=C2)CCN

InChI

InChI=1S/C19H24N4O7/c20-6-5-12-1-3-13(4-2-12)17(29)23-8-7-22(11-16(27)28)18(30)19(23,9-15(25)26)14(24)10-21/h1-4H,5-11,20-21H2,(H,25,26)(H,27,28)