(3R)-7-(4-chloranylphenoxy)-3-[[(2S)-3,3-dimethyl-1-(3-morpholin-4-ylpropylamino)-1-oxidanylidene-butan-2-yl]carbamoyl]heptanoic acid

Systemtic Name: (3R)-7-(4-chloranylphenoxy)-3-[[(2S)-3,3-dimethyl-1-(3-morpholin-4-ylpropylamino)-1-oxidanylidene-butan-2-yl]carbamoyl]heptanoic acid Openeye Name: (3R)-7-(4-chlorophenoxy)-3-[[(1S)-2,2-dimethyl-1-(3-morpholinopropylcarbamoyl)propyl]carbamoyl]heptanoic acid CAS Name: (3R)-7-(4-chlorophenoxy)-3-[[[(2S)-3,3-dimethyl-1-[3-(4-morpholinyl)propylamino]-1-oxobutan-2-yl]amino]-oxomethyl]heptanoic acid IUPAC Name: (3R)-7-(4-chlorophenoxy)-3-[[(2S)-3,3-dimethyl-1-(3-morpholin-4-ylpropylamino)-1-oxobutan-2-yl]carbamoyl]heptanoic acid Traditional Name: (3R)-7-(4-chlorophenoxy)-3-[[(1S)-2,2-dimethyl-1-(3-morpholinopropylcarbamoyl)propyl]carbamoyl]enanthic acid Formula: C27H42ClN3O6 MolecularWeight: 540.09188

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C(=O)NCCCN1CCOCC1)NC(=O)C(CCCCOC2=CC=C(C=C2)Cl)CC(=O)O

Isomeric SMILES

CC(C)(C)[C@@H](C(=O)NCCCN1CCOCC1)NC(=O)[C@H](CCCCOC2=CC=C(C=C2)Cl)CC(=O)O

InChI

InChI=1S/C27H42ClN3O6/c1-27(2,3)24(26(35)29-12-6-13-31-14-17-36-18-15-31)30-25(34)20(19-23(32)33)7-4-5-16-37-22-10-8-21(28)9-11-22/h8-11,20,24H,4-7,12-19H2,1-3H3,(H,29,35)(H,30,34)(H,32,33)/t20-,24-/m1/s1