(2S)-2-[[(2S)-2-(methylsulfonylamino)propanoyl]amino]-N-[(E,2S)-4-nitro-1-phenyl-but-3-en-2-yl]propanamide

Systemtic Name: (2S)-2-[[(2S)-2-(methylsulfonylamino)propanoyl]amino]-N-[(E,2S)-4-nitro-1-phenyl-but-3-en-2-yl]propanamide Openeye Name: (2S)-N-[(E,1S)-1-benzyl-3-nitro-allyl]-2-[[(2S)-2-(methanesulfonamido)propanoyl]amino]propanamide CAS Name: (2S)-2-[[(2S)-2-(methanesulfonamido)-1-oxopropyl]amino]-N-[(E,2S)-4-nitro-1-phenylbut-3-en-2-yl]propanamide IUPAC Name: (2S)-2-[[(2S)-2-(methanesulfonamido)propanoyl]amino]-N-[(E,2S)-4-nitro-1-phenylbut-3-en-2-yl]propanamide Traditional Name: (2S)-N-[(E,1S)-1-benzyl-3-nitro-allyl]-2-[[(2S)-2-(methanesulfonamido)propanoyl]amino]propionamide Formula: C17H24N4O6S MolecularWeight: 412.46066

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CC1=CC=CC=C1)C=C[N+](=O)[O-])NC(=O)C(C)NS(=O)(=O)C

Isomeric SMILES

C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)/C=C/[N+](=O)[O-])NC(=O)[C@H](C)NS(=O)(=O)C

InChI

InChI=1S/C17H24N4O6S/c1-12(18-17(23)13(2)20-28(3,26)27)16(22)19-15(9-10-21(24)25)11-14-7-5-4-6-8-14/h4-10,12-13,15,20H,11H2,1-3H3,(H,18,23)(H,19,22)/b10-9+/t12-,13-,15+/m0/s1