(2R)-3-[3-[5-[(1R)-3-azanyl-1-isocyano-3-oxidanylidene-propyl]-2-oxidanyl-phenyl]-4-oxidanyl-phenyl]-2-isocyano-propanamide

Systemtic Name: (2R)-3-[3-[5-[(1R)-3-azanyl-1-isocyano-3-oxidanylidene-propyl]-2-oxidanyl-phenyl]-4-oxidanyl-phenyl]-2-isocyano-propanamide Openeye Name: (2R)-3-[3-[5-[(1R)-3-amino-1-isocyano-3-oxo-propyl]-2-hydroxy-phenyl]-4-hydroxy-phenyl]-2-isocyano-propanamide CAS Name: (2R)-3-[3-[5-[(1R)-3-amino-1-isocyano-3-oxopropyl]-2-hydroxyphenyl]-4-hydroxyphenyl]-2-isocyanopropanamide IUPAC Name: (2R)-3-[3-[5-[(1R)-3-amino-1-isocyano-3-oxopropyl]-2-hydroxyphenyl]-4-hydroxyphenyl]-2-isocyanopropanamide Traditional Name: (2R)-3-[3-[5-[(1R)-3-amino-1-isocyano-3-keto-propyl]-2-hydroxy-phenyl]-4-hydroxy-phenyl]-2-isocyano-propionamide Formula: C20H18N4O4 MolecularWeight: 378.38132

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Descriptors Computed from Structure

Canonical SMILES:

[C-]#[N+]C(CC1=CC(=C(C=C1)O)C2=C(C=CC(=C2)C(CC(=O)N)[N+]#[C-])O)C(=O)N

Isomeric SMILES

[C-]#[N+][C@H](CC1=CC(=C(C=C1)O)C2=C(C=CC(=C2)[C@@H](CC(=O)N)[N+]#[C-])O)C(=O)N

InChI

InChI=1S/C20H18N4O4/c1-23-15(10-19(21)27)12-4-6-18(26)14(9-12)13-7-11(3-5-17(13)25)8-16(24-2)20(22)28/h3-7,9,15-16,25-26H,8,10H2,(H2,21,27)(H2,22,28)/t15-,16-/m1/s1