3-[(2S,5S)-6-oxidanylidene-5-[4-(phenylmethoxycarbonylamino)butyl]-4-prop-2-enoxycarbonyl-piperazin-2-yl]propanoic acid

Systemtic Name: 3-[(2S,5S)-6-oxidanylidene-5-[4-(phenylmethoxycarbonylamino)butyl]-4-prop-2-enoxycarbonyl-piperazin-2-yl]propanoic acid Openeye Name: 3-[(2S,5S)-4-allyloxycarbonyl-5-[4-(benzyloxycarbonylamino)butyl]-6-oxo-piperazin-2-yl]propanoic acid CAS Name: 3-[(2S,5S)-6-oxo-4-[oxo(prop-2-enoxy)methyl]-5-[4-(phenylmethoxycarbonylamino)butyl]-2-piperazinyl]propanoic acid IUPAC Name: 3-[(2S,5S)-6-oxo-5-[4-(phenylmethoxycarbonylamino)butyl]-4-prop-2-enoxycarbonylpiperazin-2-yl]propanoic acid Traditional Name: 3-[(2S,5S)-4-allyloxycarbonyl-5-[4-(benzyloxycarbonylamino)butyl]-6-keto-piperazin-2-yl]propionic acid Formula: C23H31N3O7 MolecularWeight: 461.50814

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC(=O)N1CC(NC(=O)C1CCCCNC(=O)OCC2=CC=CC=C2)CCC(=O)O

Isomeric SMILES

C=CCOC(=O)N1C[C@@H](NC(=O)[C@@H]1CCCCNC(=O)OCC2=CC=CC=C2)CCC(=O)O

InChI

InChI=1S/C23H31N3O7/c1-2-14-32-23(31)26-15-18(11-12-20(27)28)25-21(29)19(26)10-6-7-13-24-22(30)33-16-17-8-4-3-5-9-17/h2-5,8-9,18-19H,1,6-7,10-16H2,(H,24,30)(H,25,29)(H,27,28)/t18-,19-/m0/s1