3-[4-[[(2R)-2-[[1-cyclohexyl-2-(furan-3-yl)benzimidazol-5-yl]carbonylamino]propanoyl]amino]phenyl]propanoic acid

Systemtic Name: 3-[4-[[(2R)-2-[[1-cyclohexyl-2-(furan-3-yl)benzimidazol-5-yl]carbonylamino]propanoyl]amino]phenyl]propanoic acid Openeye Name: 3-[4-[[(2R)-2-[[1-cyclohexyl-2-(3-furyl)benzimidazole-5-carbonyl]amino]propanoyl]amino]phenyl]propanoic acid CAS Name: 3-[4-[[(2R)-2-[[[1-cyclohexyl-2-(3-furanyl)-5-benzimidazolyl]-oxomethyl]amino]-1-oxopropyl]amino]phenyl]propanoic acid IUPAC Name: 3-[4-[[(2R)-2-[[1-cyclohexyl-2-(furan-3-yl)benzimidazole-5-carbonyl]amino]propanoyl]amino]phenyl]propanoic acid Traditional Name: 3-[4-[[(2R)-2-[[1-cyclohexyl-2-(3-furyl)benzimidazole-5-carbonyl]amino]propanoyl]amino]phenyl]propionic acid Formula: C30H32N4O5 MolecularWeight: 528.59888

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)CCC(=O)O)NC(=O)C2=CC3=C(C=C2)N(C(=N3)C4=COC=C4)C5CCCCC5

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)CCC(=O)O)NC(=O)C2=CC3=C(C=C2)N(C(=N3)C4=COC=C4)C5CCCCC5

InChI

InChI=1S/C30H32N4O5/c1-19(29(37)32-23-11-7-20(8-12-23)9-14-27(35)36)31-30(38)21-10-13-26-25(17-21)33-28(22-15-16-39-18-22)34(26)24-5-3-2-4-6-24/h7-8,10-13,15-19,24H,2-6,9,14H2,1H3,(H,31,38)(H,32,37)(H,35,36)/t19-/m1/s1