2-[3-[4-(2-azanylethyl)phenyl]carbonyl-3-(1-azanyl-1-oxidanylidene-propan-2-yl)-2-oxidanylidene-piperazin-1-yl]ethanoyl 2-azanylethanoate

Systemtic Name: 2-[3-[4-(2-azanylethyl)phenyl]carbonyl-3-(1-azanyl-1-oxidanylidene-propan-2-yl)-2-oxidanylidene-piperazin-1-yl]ethanoyl 2-azanylethanoate Openeye Name: [2-[3-[4-(2-aminoethyl)benzoyl]-3-(2-amino-1-methyl-2-oxo-ethyl)-2-oxo-piperazin-1-yl]acetyl] 2-aminoacetate CAS Name: 2-aminoacetic acid [2-[3-[[4-(2-aminoethyl)phenyl]-oxomethyl]-3-(1-amino-1-oxopropan-2-yl)-2-oxo-1-piperazinyl]-1-oxoethyl] ester IUPAC Name: [2-[3-[4-(2-aminoethyl)benzoyl]-3-(1-amino-1-oxopropan-2-yl)-2-oxopiperazin-1-yl]acetyl] 2-aminoacetate Traditional Name: 2-aminoacetic acid [2-[3-[4-(2-aminoethyl)benzoyl]-3-(2-amino-2-keto-1-methyl-ethyl)-2-keto-piperazino]acetyl] ester Formula: C20H27N5O6 MolecularWeight: 433.45828

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N)C1(C(=O)N(CCN1)CC(=O)OC(=O)CN)C(=O)C2=CC=C(C=C2)CCN

Isomeric SMILES

CC(C(=O)N)C1(C(=O)N(CCN1)CC(=O)OC(=O)CN)C(=O)C2=CC=C(C=C2)CCN

InChI

InChI=1S/C20H27N5O6/c1-12(18(23)29)20(17(28)14-4-2-13(3-5-14)6-7-21)19(30)25(9-8-24-20)11-16(27)31-15(26)10-22/h2-5,12,24H,6-11,21-22H2,1H3,(H2,23,29)