(2S)-2-(1,3-benzodioxol-5-ylmethylamino)-5-oxidanylidene-5-[(4-phenylphenyl)carbonylamino]pentanoic acid

Systemtic Name: (2S)-2-(1,3-benzodioxol-5-ylmethylamino)-5-oxidanylidene-5-[(4-phenylphenyl)carbonylamino]pentanoic acid Openeye Name: (2S)-2-(1,3-benzodioxol-5-ylmethylamino)-5-oxo-5-[(4-phenylbenzoyl)amino]pentanoic acid CAS Name: (2S)-2-(1,3-benzodioxol-5-ylmethylamino)-5-oxo-5-[[oxo-(4-phenylphenyl)methyl]amino]pentanoic acid IUPAC Name: (2S)-2-(1,3-benzodioxol-5-ylmethylamino)-5-oxo-5-[(4-phenylbenzoyl)amino]pentanoic acid Traditional Name: (2S)-5-keto-5-[(4-phenylbenzoyl)amino]-2-(piperonylamino)valeric acid Formula: C26H24N2O6 MolecularWeight: 460.47856

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(CCC(=O)NC(=O)C3=CC=C(C=C3)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN[C@@H](CCC(=O)NC(=O)C3=CC=C(C=C3)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C26H24N2O6/c29-24(28-25(30)20-9-7-19(8-10-20)18-4-2-1-3-5-18)13-11-21(26(31)32)27-15-17-6-12-22-23(14-17)34-16-33-22/h1-10,12,14,21,27H,11,13,15-16H2,(H,31,32)(H,28,29,30)/t21-/m0/s1