methyl 2-[[1-cyclopropyl-2-[1-(3-sulfanylpropanoylamino)propyl]benzimidazol-5-yl]carbonylamino]ethanoate

Systemtic Name: methyl 2-[[1-cyclopropyl-2-[1-(3-sulfanylpropanoylamino)propyl]benzimidazol-5-yl]carbonylamino]ethanoate Openeye Name: methyl 2-[[1-cyclopropyl-2-[1-(3-sulfanylpropanoylamino)propyl]benzimidazole-5-carbonyl]amino]acetate CAS Name: 2-[[[1-cyclopropyl-2-[1-[(3-mercapto-1-oxopropyl)amino]propyl]-5-benzimidazolyl]-oxomethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[1-cyclopropyl-2-[1-(3-sulfanylpropanoylamino)propyl]benzimidazole-5-carbonyl]amino]acetate Traditional Name: 2-[[1-cyclopropyl-2-[1-(3-mercaptopropanoylamino)propyl]benzimidazole-5-carbonyl]amino]acetic acid methyl ester Formula: C20H26N4O4S MolecularWeight: 418.50984

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=NC2=C(N1C3CC3)C=CC(=C2)C(=O)NCC(=O)OC)NC(=O)CCS

Isomeric SMILES

CCC(C1=NC2=C(N1C3CC3)C=CC(=C2)C(=O)NCC(=O)OC)NC(=O)CCS

InChI

InChI=1S/C20H26N4O4S/c1-3-14(22-17(25)8-9-29)19-23-15-10-12(20(27)21-11-18(26)28-2)4-7-16(15)24(19)13-5-6-13/h4,7,10,13-14,29H,3,5-6,8-9,11H2,1-2H3,(H,21,27)(H,22,25)