[(2R)-1-azanyl-1-oxidanylidene-propan-2-yl] 3-(1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)propanoate

Systemtic Name: [(2R)-1-azanyl-1-oxidanylidene-propan-2-yl] 3-(1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)propanoate Openeye Name: [(1R)-2-amino-1-methyl-2-oxo-ethyl] 3-(1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)propanoate CAS Name: 3-[1-ethyl-5-(4-morpholinylsulfonyl)-2-benzimidazolyl]propanoic acid [(2R)-1-amino-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-amino-1-oxopropan-2-yl] 3-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanoate Traditional Name: 3-(1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)propionic acid [(1R)-2-amino-2-keto-1-methyl-ethyl] ester Formula: C19H26N4O6S MolecularWeight: 438.49794

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1CCC(=O)OC(C)C(=O)N

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1CCC(=O)O[C@H](C)C(=O)N

InChI

InChI=1S/C19H26N4O6S/c1-3-23-16-5-4-14(30(26,27)22-8-10-28-11-9-22)12-15(16)21-17(23)6-7-18(24)29-13(2)19(20)25/h4-5,12-13H,3,6-11H2,1-2H3,(H2,20,25)/t13-/m1/s1