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

Systemtic Name: methyl 2-[[2-[5-azanyl-1-(3-sulfanylpropanoylamino)pentan-2-yl]-1-cyclopropyl-benzimidazol-5-yl]carbonylamino]ethanoate Openeye Name: methyl 2-[[2-[4-amino-1-[(3-sulfanylpropanoylamino)methyl]butyl]-1-cyclopropyl-benzimidazole-5-carbonyl]amino]acetate CAS Name: 2-[[[2-[5-amino-1-[(3-mercapto-1-oxopropyl)amino]pentan-2-yl]-1-cyclopropyl-5-benzimidazolyl]-oxomethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[2-[5-amino-1-(3-sulfanylpropanoylamino)pentan-2-yl]-1-cyclopropylbenzimidazole-5-carbonyl]amino]acetate Traditional Name: 2-[[2-[4-amino-1-[(3-mercaptopropanoylamino)methyl]butyl]-1-cyclopropyl-benzimidazole-5-carbonyl]amino]acetic acid methyl ester Formula: C22H31N5O4S MolecularWeight: 461.57764

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CNC(=O)C1=CC2=C(C=C1)N(C(=N2)C(CCCN)CNC(=O)CCS)C3CC3

Isomeric SMILES

COC(=O)CNC(=O)C1=CC2=C(C=C1)N(C(=N2)C(CCCN)CNC(=O)CCS)C3CC3

InChI

InChI=1S/C22H31N5O4S/c1-31-20(29)13-25-22(30)14-4-7-18-17(11-14)26-21(27(18)16-5-6-16)15(3-2-9-23)12-24-19(28)8-10-32/h4,7,11,15-16,32H,2-3,5-6,8-10,12-13,23H2,1H3,(H,24,28)(H,25,30)