(2S,3S)-2-(aminocarbonylamino)-3-methyl-N-(3-methylsulfonylphenyl)pentanamide

Systemtic Name: (2S,3S)-2-(aminocarbonylamino)-3-methyl-N-(3-methylsulfonylphenyl)pentanamide Openeye Name: (2S,3S)-3-methyl-N-(3-methylsulfonylphenyl)-2-ureido-pentanamide CAS Name: (2S,3S)-2-(carbamoylamino)-3-methyl-N-(3-methylsulfonylphenyl)pentanamide IUPAC Name: (2S,3S)-2-(carbamoylamino)-3-methyl-N-(3-methylsulfonylphenyl)pentanamide Traditional Name: (2S,3S)-N-(3-mesylphenyl)-3-methyl-2-ureido-valeramide Formula: C14H21N3O4S MolecularWeight: 327.39924

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC1=CC(=CC=C1)S(=O)(=O)C)NC(=O)N

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)NC1=CC(=CC=C1)S(=O)(=O)C)NC(=O)N

InChI

InChI=1S/C14H21N3O4S/c1-4-9(2)12(17-14(15)19)13(18)16-10-6-5-7-11(8-10)22(3,20)21/h5-9,12H,4H2,1-3H3,(H,16,18)(H3,15,17,19)/t9-,12-/m0/s1