3,3-dimethyl-5-[[(6S)-6-methyl-3-propan-2-yloxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 3,3-dimethyl-5-[[(6S)-6-methyl-3-propan-2-yloxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[[(6S)-3-isopropoxycarbonyl-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]amino]-3,3-dimethyl-5-oxo-pentanoic acid CAS Name: 3,3-dimethyl-5-[[(6S)-6-methyl-3-[oxo(propan-2-yloxy)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-5-oxopentanoic acid IUPAC Name: 3,3-dimethyl-5-[[(6S)-6-methyl-3-propan-2-yloxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-5-oxopentanoic acid Traditional Name: 5-[[(6S)-3-isopropoxycarbonyl-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]amino]-5-keto-3,3-dimethyl-valeric acid Formula: C20H29NO5S MolecularWeight: 395.51296

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)OC(C)C)NC(=O)CC(C)(C)CC(=O)O

Isomeric SMILES

C[C@H]1CCC2=C(C1)SC(=C2C(=O)OC(C)C)NC(=O)CC(C)(C)CC(=O)O

InChI

InChI=1S/C20H29NO5S/c1-11(2)26-19(25)17-13-7-6-12(3)8-14(13)27-18(17)21-15(22)9-20(4,5)10-16(23)24/h11-12H,6-10H2,1-5H3,(H,21,22)(H,23,24)/t12-/m0/s1