(2S)-2-[[7-(cyclopentylmethylcarbamoylamino)dibenzofuran-2-yl]sulfonylamino]-3-methyl-butanoic acid

Systemtic Name: (2S)-2-[[7-(cyclopentylmethylcarbamoylamino)dibenzofuran-2-yl]sulfonylamino]-3-methyl-butanoic acid Openeye Name: (2S)-2-[[7-(cyclopentylmethylcarbamoylamino)dibenzofuran-2-yl]sulfonylamino]-3-methyl-butanoic acid CAS Name: (2S)-2-[[7-[[(cyclopentylmethylamino)-oxomethyl]amino]-2-dibenzofuranyl]sulfonylamino]-3-methylbutanoic acid IUPAC Name: (2S)-2-[[7-(cyclopentylmethylcarbamoylamino)dibenzofuran-2-yl]sulfonylamino]-3-methylbutanoic acid Traditional Name: (2S)-2-[[7-(cyclopentylmethylcarbamoylamino)dibenzofuran-2-yl]sulfonylamino]-3-methyl-butyric acid Formula: C24H29N3O6S MolecularWeight: 487.56856

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NS(=O)(=O)C1=CC2=C(C=C1)OC3=C2C=CC(=C3)NC(=O)NCC4CCCC4

Isomeric SMILES

CC(C)[C@@H](C(=O)O)NS(=O)(=O)C1=CC2=C(C=C1)OC3=C2C=CC(=C3)NC(=O)NCC4CCCC4

InChI

InChI=1S/C24H29N3O6S/c1-14(2)22(23(28)29)27-34(31,32)17-8-10-20-19(12-17)18-9-7-16(11-21(18)33-20)26-24(30)25-13-15-5-3-4-6-15/h7-12,14-15,22,27H,3-6,13H2,1-2H3,(H,28,29)(H2,25,26,30)/t22-/m0/s1