(2S)-3-[1-(carboxymethyl)-5-oxidanyl-indol-3-yl]-2-[[1-cyclohexyl-2-(furan-3-yl)imidazo[4,5-b]pyridin-5-yl]carbonylamino]propanoic acid

Systemtic Name: (2S)-3-[1-(carboxymethyl)-5-oxidanyl-indol-3-yl]-2-[[1-cyclohexyl-2-(furan-3-yl)imidazo[4,5-b]pyridin-5-yl]carbonylamino]propanoic acid Openeye Name: (2S)-3-[1-(carboxymethyl)-5-hydroxy-indol-3-yl]-2-[[1-cyclohexyl-2-(3-furyl)imidazo[4,5-b]pyridine-5-carbonyl]amino]propanoic acid CAS Name: (2S)-3-[1-(carboxymethyl)-5-hydroxy-3-indolyl]-2-[[[1-cyclohexyl-2-(3-furanyl)-5-imidazo[4,5-b]pyridinyl]-oxomethyl]amino]propanoic acid IUPAC Name: (2S)-3-[1-(carboxymethyl)-5-hydroxyindol-3-yl]-2-[[1-cyclohexyl-2-(furan-3-yl)imidazo[4,5-b]pyridine-5-carbonyl]amino]propanoic acid Traditional Name: (2S)-3-[1-(carboxymethyl)-5-hydroxy-indol-3-yl]-2-[[1-cyclohexyl-2-(3-furyl)imidazo[4,5-b]pyridine-5-carbonyl]amino]propionic acid Formula: C30H29N5O7 MolecularWeight: 571.58056

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C3=C(N=C(C=C3)C(=O)NC(CC4=CN(C5=C4C=C(C=C5)O)CC(=O)O)C(=O)O)N=C2C6=COC=C6

Isomeric SMILES

C1CCC(CC1)N2C3=C(N=C(C=C3)C(=O)N[C@@H](CC4=CN(C5=C4C=C(C=C5)O)CC(=O)O)C(=O)O)N=C2C6=COC=C6

InChI

InChI=1S/C30H29N5O7/c36-20-6-8-24-21(13-20)18(14-34(24)15-26(37)38)12-23(30(40)41)32-29(39)22-7-9-25-27(31-22)33-28(17-10-11-42-16-17)35(25)19-4-2-1-3-5-19/h6-11,13-14,16,19,23,36H,1-5,12,15H2,(H,32,39)(H,37,38)(H,40,41)/t23-/m0/s1