3-[1-[2-[2-methyl-4-oxidanylidene-5-(phenylmethoxycarbonylamino)pentan-2-yl]oxy-2-oxidanylidene-ethyl]-3-oxidanylidene-piperazin-2-yl]propanoic acid

Systemtic Name: 3-[1-[2-[2-methyl-4-oxidanylidene-5-(phenylmethoxycarbonylamino)pentan-2-yl]oxy-2-oxidanylidene-ethyl]-3-oxidanylidene-piperazin-2-yl]propanoic acid Openeye Name: 3-[1-[2-[4-(benzyloxycarbonylamino)-1,1-dimethyl-3-oxo-butoxy]-2-oxo-ethyl]-3-oxo-piperazin-2-yl]propanoic acid CAS Name: 3-[1-[2-[2-methyl-4-oxo-5-(phenylmethoxycarbonylamino)pentan-2-yl]oxy-2-oxoethyl]-3-oxo-2-piperazinyl]propanoic acid IUPAC Name: 3-[1-[2-[2-methyl-4-oxo-5-(phenylmethoxycarbonylamino)pentan-2-yl]oxy-2-oxoethyl]-3-oxopiperazin-2-yl]propanoic acid Traditional Name: 3-[1-[2-[4-(benzyloxycarbonylamino)-3-keto-1,1-dimethyl-butoxy]-2-keto-ethyl]-3-keto-piperazin-2-yl]propionic acid Formula: C23H31N3O8 MolecularWeight: 477.50754

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(=O)CNC(=O)OCC1=CC=CC=C1)OC(=O)CN2CCNC(=O)C2CCC(=O)O

Isomeric SMILES

CC(C)(CC(=O)CNC(=O)OCC1=CC=CC=C1)OC(=O)CN2CCNC(=O)C2CCC(=O)O

InChI

InChI=1S/C23H31N3O8/c1-23(2,12-17(27)13-25-22(32)33-15-16-6-4-3-5-7-16)34-20(30)14-26-11-10-24-21(31)18(26)8-9-19(28)29/h3-7,18H,8-15H2,1-2H3,(H,24,31)(H,25,32)(H,28,29)