(2S,3S)-2-(aminocarbonylamino)-3-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)pentanamide

Systemtic Name: (2S,3S)-2-(aminocarbonylamino)-3-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)pentanamide Openeye Name: (2S,3S)-3-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)-2-ureido-pentanamide CAS Name: (2S,3S)-2-(carbamoylamino)-3-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)pentanamide IUPAC Name: (2S,3S)-2-(carbamoylamino)-3-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)pentanamide Traditional Name: (2S,3S)-3-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)-2-ureido-valeramide Formula: C15H20N4O2S MolecularWeight: 320.4099

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC1=CC2=C(C=C1)N=C(S2)C)NC(=O)N

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)NC1=CC2=C(C=C1)N=C(S2)C)NC(=O)N

InChI

InChI=1S/C15H20N4O2S/c1-4-8(2)13(19-15(16)21)14(20)18-10-5-6-11-12(7-10)22-9(3)17-11/h5-8,13H,4H2,1-3H3,(H,18,20)(H3,16,19,21)/t8-,13-/m0/s1