(2S)-2-azanyl-N-[2-[[(1R,2R)-1-(4-nitrophenyl)-1,3-bis(oxidanyl)propan-2-yl]amino]ethanoyl]-3-phenyl-propanamide

Systemtic Name: (2S)-2-azanyl-N-[2-[[(1R,2R)-1-(4-nitrophenyl)-1,3-bis(oxidanyl)propan-2-yl]amino]ethanoyl]-3-phenyl-propanamide Openeye Name: (2S)-2-amino-N-[2-[[(1R,2R)-2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]amino]acetyl]-3-phenyl-propanamide CAS Name: (2S)-2-amino-N-[2-[[(1R,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]amino]-1-oxoethyl]-3-phenylpropanamide IUPAC Name: (2S)-2-amino-N-[2-[[(1R,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]amino]acetyl]-3-phenylpropanamide Traditional Name: (2S)-2-amino-N-[2-[[(1R,2R)-2-hydroxy-1-methylol-2-(4-nitrophenyl)ethyl]amino]acetyl]-3-phenyl-propionamide Formula: C20H24N4O6 MolecularWeight: 416.42776

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)NC(=O)CNC(CO)C(C2=CC=C(C=C2)[N+](=O)[O-])O)N

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)NC(=O)CN[C@H](CO)[C@@H](C2=CC=C(C=C2)[N+](=O)[O-])O)N

InChI

InChI=1S/C20H24N4O6/c21-16(10-13-4-2-1-3-5-13)20(28)23-18(26)11-22-17(12-25)19(27)14-6-8-15(9-7-14)24(29)30/h1-9,16-17,19,22,25,27H,10-12,21H2,(H,23,26,28)/t16-,17+,19+/m0/s1