(2S)-3-methyl-N-[(2S)-3-methyl-1-oxidanylidene-butan-2-yl]-2-(naphthalen-1-ylsulfonylamino)pentanamide

Systemtic Name: (2S)-3-methyl-N-[(2S)-3-methyl-1-oxidanylidene-butan-2-yl]-2-(naphthalen-1-ylsulfonylamino)pentanamide Openeye Name: (2S)-N-[(1S)-1-formyl-2-methyl-propyl]-3-methyl-2-(1-naphthylsulfonylamino)pentanamide CAS Name: (2S)-3-methyl-N-[(2S)-3-methyl-1-oxobutan-2-yl]-2-(1-naphthalenylsulfonylamino)pentanamide IUPAC Name: (2S)-3-methyl-N-[(2S)-3-methyl-1-oxobutan-2-yl]-2-(naphthalen-1-ylsulfonylamino)pentanamide Traditional Name: (2S)-N-[(1S)-1-formyl-2-methyl-propyl]-3-methyl-2-(1-naphthylsulfonylamino)valeramide Formula: C21H28N2O4S MolecularWeight: 404.52302

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(C=O)C(C)C)NS(=O)(=O)C1=CC=CC2=CC=CC=C21

Isomeric SMILES

CCC(C)[C@@H](C(=O)N[C@H](C=O)C(C)C)NS(=O)(=O)C1=CC=CC2=CC=CC=C21

InChI

InChI=1S/C21H28N2O4S/c1-5-15(4)20(21(25)22-18(13-24)14(2)3)23-28(26,27)19-12-8-10-16-9-6-7-11-17(16)19/h6-15,18,20,23H,5H2,1-4H3,(H,22,25)/t15?,18-,20+/m1/s1