methyl 3-[2-[5-(1H-benzimidazol-2-ylamino)pentanoylamino]ethanoylamino]-3-pyridin-3-yl-propanoate

Systemtic Name: methyl 3-[2-[5-(1H-benzimidazol-2-ylamino)pentanoylamino]ethanoylamino]-3-pyridin-3-yl-propanoate Openeye Name: methyl 3-[[2-[5-(1H-benzimidazol-2-ylamino)pentanoylamino]acetyl]amino]-3-(3-pyridyl)propanoate CAS Name: 3-[[2-[[5-(1H-benzimidazol-2-ylamino)-1-oxopentyl]amino]-1-oxoethyl]amino]-3-(3-pyridinyl)propanoic acid methyl ester IUPAC Name: methyl 3-[[2-[5-(1H-benzimidazol-2-ylamino)pentanoylamino]acetyl]amino]-3-pyridin-3-ylpropanoate Traditional Name: 3-[[2-[5-(1H-benzimidazol-2-ylamino)pentanoylamino]acetyl]amino]-3-(3-pyridyl)propionic acid methyl ester Formula: C23H28N6O4 MolecularWeight: 452.50622

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C1=CN=CC=C1)NC(=O)CNC(=O)CCCCNC2=NC3=CC=CC=C3N2

Isomeric SMILES

COC(=O)CC(C1=CN=CC=C1)NC(=O)CNC(=O)CCCCNC2=NC3=CC=CC=C3N2

InChI

InChI=1S/C23H28N6O4/c1-33-22(32)13-19(16-7-6-11-24-14-16)27-21(31)15-26-20(30)10-4-5-12-25-23-28-17-8-2-3-9-18(17)29-23/h2-3,6-9,11,14,19H,4-5,10,12-13,15H2,1H3,(H,26,30)(H,27,31)(H2,25,28,29)