methyl (2R)-2-[[7-(3-methoxypropanoylamino)-1-methyl-2-phenyl-benzimidazol-5-yl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2R)-2-[[7-(3-methoxypropanoylamino)-1-methyl-2-phenyl-benzimidazol-5-yl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2R)-2-[[7-(3-methoxypropanoylamino)-1-methyl-2-phenyl-benzimidazole-5-carbonyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2R)-2-[[[7-[(3-methoxy-1-oxopropyl)amino]-1-methyl-2-phenyl-5-benzimidazolyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[7-(3-methoxypropanoylamino)-1-methyl-2-phenylbenzimidazole-5-carbonyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2R)-2-[[7-(3-methoxypropanoylamino)-1-methyl-2-phenyl-benzimidazole-5-carbonyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C25H30N4O5S MolecularWeight: 498.5945

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2NC(=O)CCOC)C(=O)NC(CCSC)C(=O)OC)N=C1C3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C=C(C=C2NC(=O)CCOC)C(=O)N[C@H](CCSC)C(=O)OC)N=C1C3=CC=CC=C3

InChI

InChI=1S/C25H30N4O5S/c1-29-22-19(26-21(30)10-12-33-2)14-17(24(31)28-18(11-13-35-4)25(32)34-3)15-20(22)27-23(29)16-8-6-5-7-9-16/h5-9,14-15,18H,10-13H2,1-4H3,(H,26,30)(H,28,31)/t18-/m1/s1