[4-[3-[3,5-bis(oxidanylidene)piperazin-1-yl]butyl]-2,6-bis(oxidanylidene)piperazin-1-yl]methyl 2-azanyl-3-(4-hydroxyphenyl)propanoate

Systemtic Name: [4-[3-[3,5-bis(oxidanylidene)piperazin-1-yl]butyl]-2,6-bis(oxidanylidene)piperazin-1-yl]methyl 2-azanyl-3-(4-hydroxyphenyl)propanoate Openeye Name: [4-[3-(3,5-dioxopiperazin-1-yl)butyl]-2,6-dioxo-piperazin-1-yl]methyl 2-amino-3-(4-hydroxyphenyl)propanoate CAS Name: 2-amino-3-(4-hydroxyphenyl)propanoic acid [4-[3-(3,5-dioxo-1-piperazinyl)butyl]-2,6-dioxo-1-piperazinyl]methyl ester IUPAC Name: [4-[3-(3,5-dioxopiperazin-1-yl)butyl]-2,6-dioxopiperazin-1-yl]methyl 2-amino-3-(4-hydroxyphenyl)propanoate Traditional Name: 2-amino-3-(4-hydroxyphenyl)propionic acid [4-[3-(3,5-diketopiperazino)butyl]-2,6-diketo-piperazino]methyl ester Formula: C22H29N5O7 MolecularWeight: 475.49496

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCN1CC(=O)N(C(=O)C1)COC(=O)C(CC2=CC=C(C=C2)O)N)N3CC(=O)NC(=O)C3

Isomeric SMILES

CC(CCN1CC(=O)N(C(=O)C1)COC(=O)C(CC2=CC=C(C=C2)O)N)N3CC(=O)NC(=O)C3

InChI

InChI=1S/C22H29N5O7/c1-14(26-9-18(29)24-19(30)10-26)6-7-25-11-20(31)27(21(32)12-25)13-34-22(33)17(23)8-15-2-4-16(28)5-3-15/h2-5,14,17,28H,6-13,23H2,1H3,(H,24,29,30)