3-[[1-[1,3-benzoxazol-2-ylcarbonyl(3-phenylpropyl)amino]-3-cyclohexyl-1-oxidanylidene-propan-2-yl]amino]-3-oxidanylidene-propanoic acid

Systemtic Name: 3-[[1-[1,3-benzoxazol-2-ylcarbonyl(3-phenylpropyl)amino]-3-cyclohexyl-1-oxidanylidene-propan-2-yl]amino]-3-oxidanylidene-propanoic acid Openeye Name: 3-[[2-[1,3-benzoxazole-2-carbonyl(3-phenylpropyl)amino]-1-(cyclohexylmethyl)-2-oxo-ethyl]amino]-3-oxo-propanoic acid CAS Name: 3-[[1-[[1,3-benzoxazol-2-yl(oxo)methyl]-(3-phenylpropyl)amino]-3-cyclohexyl-1-oxopropan-2-yl]amino]-3-oxopropanoic acid IUPAC Name: 3-[[1-[1,3-benzoxazole-2-carbonyl(3-phenylpropyl)amino]-3-cyclohexyl-1-oxopropan-2-yl]amino]-3-oxopropanoic acid Traditional Name: 3-[[2-[1,3-benzoxazole-2-carbonyl(3-phenylpropyl)amino]-1-(cyclohexylmethyl)-2-keto-ethyl]amino]-3-keto-propionic acid Formula: C29H33N3O6 MolecularWeight: 519.58882

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(C(=O)N(CCCC2=CC=CC=C2)C(=O)C3=NC4=CC=CC=C4O3)NC(=O)CC(=O)O

Isomeric SMILES

C1CCC(CC1)CC(C(=O)N(CCCC2=CC=CC=C2)C(=O)C3=NC4=CC=CC=C4O3)NC(=O)CC(=O)O

InChI

InChI=1S/C29H33N3O6/c33-25(19-26(34)35)30-23(18-21-12-5-2-6-13-21)28(36)32(17-9-14-20-10-3-1-4-11-20)29(37)27-31-22-15-7-8-16-24(22)38-27/h1,3-4,7-8,10-11,15-16,21,23H,2,5-6,9,12-14,17-19H2,(H,30,33)(H,34,35)