N-(1-azanyl-1-oxidanylidene-propan-2-yl)-N'-morpholin-4-yl-2-(phenylmethyl)-N-(1,3-thiazol-4-yl)butanediamide

Systemtic Name: N-(1-azanyl-1-oxidanylidene-propan-2-yl)-N'-morpholin-4-yl-2-(phenylmethyl)-N-(1,3-thiazol-4-yl)butanediamide Openeye Name: N-(2-amino-1-methyl-2-oxo-ethyl)-2-benzyl-N'-morpholino-N-thiazol-4-yl-butanediamide CAS Name: N-(1-amino-1-oxopropan-2-yl)-N'-(4-morpholinyl)-2-(phenylmethyl)-N-(4-thiazolyl)butanediamide IUPAC Name: N-(1-amino-1-oxopropan-2-yl)-2-benzyl-N'-morpholin-4-yl-N-(1,3-thiazol-4-yl)butanediamide Traditional Name: N-(2-amino-2-keto-1-methyl-ethyl)-2-benzyl-N'-morpholino-N-thiazol-4-yl-succinamide Formula: C21H27N5O4S MolecularWeight: 445.53518

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N)N(C1=CSC=N1)C(=O)C(CC2=CC=CC=C2)CC(=O)NN3CCOCC3

Isomeric SMILES

CC(C(=O)N)N(C1=CSC=N1)C(=O)C(CC2=CC=CC=C2)CC(=O)NN3CCOCC3

InChI

InChI=1S/C21H27N5O4S/c1-15(20(22)28)26(18-13-31-14-23-18)21(29)17(11-16-5-3-2-4-6-16)12-19(27)24-25-7-9-30-10-8-25/h2-6,13-15,17H,7-12H2,1H3,(H2,22,28)(H,24,27)