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

Systemtic Name: (2S)-3-[3-[5-[(2S)-3-azanyl-2-isocyano-3-oxidanylidene-propyl]-2-oxidanyl-phenyl]-4-oxidanyl-phenyl]-2-isocyano-propanamide Openeye Name: (2S)-3-[3-[5-[(2S)-3-amino-2-isocyano-3-oxo-propyl]-2-hydroxy-phenyl]-4-hydroxy-phenyl]-2-isocyano-propanamide CAS Name: (2S)-3-[3-[5-[(2S)-3-amino-2-isocyano-3-oxopropyl]-2-hydroxyphenyl]-4-hydroxyphenyl]-2-isocyanopropanamide IUPAC Name: (2S)-3-[3-[5-[(2S)-3-amino-2-isocyano-3-oxopropyl]-2-hydroxyphenyl]-4-hydroxyphenyl]-2-isocyanopropanamide Traditional Name: (2S)-3-[3-[5-[(2S)-3-amino-2-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)CC(C(=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[C@@H](C(=O)N)[N+]#[C-])O)C(=O)N

InChI

InChI=1S/C20H18N4O4/c1-23-15(19(21)27)9-11-3-5-17(25)13(7-11)14-8-12(4-6-18(14)26)10-16(24-2)20(22)28/h3-8,15-16,25-26H,9-10H2,(H2,21,27)(H2,22,28)/t15-,16-/m0/s1