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

Systemtic Name: 2-[1-(2-azanylethanoyl)-3-[4-(2-azanylethyl)phenyl]carbonyl-2-oxidanylidene-3-(phenylmethyl)piperazin-1-ium-1-yl]ethanoic acid Openeye Name: 2-[1-(2-aminoacetyl)-3-[4-(2-aminoethyl)benzoyl]-3-benzyl-2-oxo-piperazin-1-ium-1-yl]acetic acid CAS Name: 2-[3-[[4-(2-aminoethyl)phenyl]-oxomethyl]-1-(2-amino-1-oxoethyl)-2-oxo-3-(phenylmethyl)-1-piperazin-1-iumyl]acetic acid IUPAC Name: 2-[1-(2-aminoacetyl)-3-[4-(2-aminoethyl)benzoyl]-3-benzyl-2-oxopiperazin-1-ium-1-yl]acetic acid Traditional Name: 2-[3-[4-(2-aminoethyl)benzoyl]-3-benzyl-1-glycyl-2-keto-piperazin-1-ium-1-yl]acetic acid Formula: C24H29N4O5+ MolecularWeight: 453.51086

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](C(=O)C(N1)(CC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)CCN)(CC(=O)O)C(=O)CN

Isomeric SMILES

C1C[N+](C(=O)C(N1)(CC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)CCN)(CC(=O)O)C(=O)CN

InChI

InChI=1S/C24H28N4O5/c25-11-10-17-6-8-19(9-7-17)22(32)24(14-18-4-2-1-3-5-18)23(33)28(13-12-27-24,16-21(30)31)20(29)15-26/h1-9,27H,10-16,25-26H2/p+1