3-[[1-[3-methyl-2-[(2-methyl-5-phenyl-furan-3-yl)carbonylamino]butanoyl]pyrrolidin-2-yl]carbonylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-[[1-[3-methyl-2-[(2-methyl-5-phenyl-furan-3-yl)carbonylamino]butanoyl]pyrrolidin-2-yl]carbonylamino]-4-oxidanylidene-butanoic acid Openeye Name: 3-[[1-[3-methyl-2-[(2-methyl-5-phenyl-furan-3-carbonyl)amino]butanoyl]pyrrolidine-2-carbonyl]amino]-4-oxo-butanoic acid CAS Name: 3-[[[1-[3-methyl-2-[[(2-methyl-5-phenyl-3-furanyl)-oxomethyl]amino]-1-oxobutyl]-2-pyrrolidinyl]-oxomethyl]amino]-4-oxobutanoic acid IUPAC Name: 3-[[1-[3-methyl-2-[(2-methyl-5-phenylfuran-3-carbonyl)amino]butanoyl]pyrrolidine-2-carbonyl]amino]-4-oxobutanoic acid Traditional Name: 4-keto-3-[[1-[3-methyl-2-[(2-methyl-5-phenyl-3-furoyl)amino]butanoyl]prolyl]amino]butyric acid Formula: C26H31N3O7 MolecularWeight: 497.54024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)C2=CC=CC=C2)C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)NC(CC(=O)O)C=O

Isomeric SMILES

CC1=C(C=C(O1)C2=CC=CC=C2)C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)NC(CC(=O)O)C=O

InChI

InChI=1S/C26H31N3O7/c1-15(2)23(28-24(33)19-13-21(36-16(19)3)17-8-5-4-6-9-17)26(35)29-11-7-10-20(29)25(34)27-18(14-30)12-22(31)32/h4-6,8-9,13-15,18,20,23H,7,10-12H2,1-3H3,(H,27,34)(H,28,33)(H,31,32)