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

Systemtic Name: 3-[[1-[3-methyl-2-[(3-phenoxyphenyl)carbonylamino]butanoyl]pyrrolidin-2-yl]carbonylamino]-4-oxidanylidene-butanoic acid Openeye Name: 3-[[1-[3-methyl-2-[(3-phenoxybenzoyl)amino]butanoyl]pyrrolidine-2-carbonyl]amino]-4-oxo-butanoic acid CAS Name: 3-[[[1-[3-methyl-1-oxo-2-[[oxo-(3-phenoxyphenyl)methyl]amino]butyl]-2-pyrrolidinyl]-oxomethyl]amino]-4-oxobutanoic acid IUPAC Name: 3-[[1-[3-methyl-2-[(3-phenoxybenzoyl)amino]butanoyl]pyrrolidine-2-carbonyl]amino]-4-oxobutanoic acid Traditional Name: 4-keto-3-[[1-[3-methyl-2-[(3-phenoxybenzoyl)amino]butanoyl]prolyl]amino]butyric acid Formula: C27H31N3O7 MolecularWeight: 509.55094

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCCC1C(=O)NC(CC(=O)O)C=O)NC(=O)C2=CC(=CC=C2)OC3=CC=CC=C3

Isomeric SMILES

CC(C)C(C(=O)N1CCCC1C(=O)NC(CC(=O)O)C=O)NC(=O)C2=CC(=CC=C2)OC3=CC=CC=C3

InChI

InChI=1S/C27H31N3O7/c1-17(2)24(27(36)30-13-7-12-22(30)26(35)28-19(16-31)15-23(32)33)29-25(34)18-8-6-11-21(14-18)37-20-9-4-3-5-10-20/h3-6,8-11,14,16-17,19,22,24H,7,12-13,15H2,1-2H3,(H,28,35)(H,29,34)(H,32,33)