3-[(E)-5-[2-(4-methyl-2-oxidanylidene-piperazin-1-yl)butanoylamino]pent-3-enoyl]oxypentanoic acid

Systemtic Name: 3-[(E)-5-[2-(4-methyl-2-oxidanylidene-piperazin-1-yl)butanoylamino]pent-3-enoyl]oxypentanoic acid Openeye Name: 3-[(E)-5-[2-(4-methyl-2-oxo-piperazin-1-yl)butanoylamino]pent-3-enoyl]oxypentanoic acid CAS Name: 3-[(E)-5-[[2-(4-methyl-2-oxo-1-piperazinyl)-1-oxobutyl]amino]-1-oxopent-3-enoxy]pentanoic acid IUPAC Name: 3-[(E)-5-[2-(4-methyl-2-oxopiperazin-1-yl)butanoylamino]pent-3-enoyl]oxypentanoic acid Traditional Name: 3-[(E)-5-[2-(2-keto-4-methyl-piperazino)butanoylamino]pent-3-enoyl]oxyvaleric acid Formula: C19H31N3O6 MolecularWeight: 397.46594

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(=O)O)OC(=O)CC=CCNC(=O)C(CC)N1CCN(CC1=O)C

Isomeric SMILES

CCC(CC(=O)O)OC(=O)C/C=C/CNC(=O)C(CC)N1CCN(CC1=O)C

InChI

InChI=1S/C19H31N3O6/c1-4-14(12-17(24)25)28-18(26)8-6-7-9-20-19(27)15(5-2)22-11-10-21(3)13-16(22)23/h6-7,14-15H,4-5,8-13H2,1-3H3,(H,20,27)(H,24,25)/b7-6+