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

Systemtic Name: 2-[3-(1-azanyl-1-oxidanylidene-propan-2-yl)-3-[4-(2-dimethylaminoethyl)phenyl]carbonyl-2-oxidanylidene-piperazin-1-yl]ethanoyl 2-azanylethanoate Openeye Name: [2-[3-(2-amino-1-methyl-2-oxo-ethyl)-3-[4-(2-dimethylaminoethyl)benzoyl]-2-oxo-piperazin-1-yl]acetyl] 2-aminoacetate CAS Name: 2-aminoacetic acid [2-[3-(1-amino-1-oxopropan-2-yl)-3-[[4-(2-dimethylaminoethyl)phenyl]-oxomethyl]-2-oxo-1-piperazinyl]-1-oxoethyl] ester IUPAC Name: [2-[3-(1-amino-1-oxopropan-2-yl)-3-[4-(2-dimethylaminoethyl)benzoyl]-2-oxopiperazin-1-yl]acetyl] 2-aminoacetate Traditional Name: 2-aminoacetic acid [2-[3-(2-amino-2-keto-1-methyl-ethyl)-3-[4-(2-dimethylaminoethyl)benzoyl]-2-keto-piperazino]acetyl] ester Formula: C22H31N5O6 MolecularWeight: 461.51144

Click to see the large picture

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(C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H31N5O6/c1-14(20(24)31)22(19(30)16-6-4-15(5-7-16)8-10-26(2)3)21(32)27(11-9-25-22)13-18(29)33-17(28)12-23/h4-7,14,25H,8-13,23H2,1-3H3,(H2,24,31)