5-[[(6R)-6-tert-butyl-3-(propan-2-ylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-5-oxidanylidene-pentanoate

Systemtic Name: 5-[[(6R)-6-tert-butyl-3-(propan-2-ylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-5-oxidanylidene-pentanoate Openeye Name: 5-[[(6R)-6-tert-butyl-3-(isopropylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]amino]-5-oxo-pentanoate CAS Name: 5-[[(6R)-6-tert-butyl-3-[oxo-(propan-2-ylamino)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-5-oxopentanoate IUPAC Name: 5-[[(6R)-6-tert-butyl-3-(propan-2-ylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-5-oxopentanoate Traditional Name: 5-[[(6R)-6-tert-butyl-3-(isopropylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]amino]-5-keto-valerate Formula: C21H31N2O4S- MolecularWeight: 407.54684

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1=C(SC2=C1CCC(C2)C(C)(C)C)NC(=O)CCCC(=O)[O-]

Isomeric SMILES

CC(C)NC(=O)C1=C(SC2=C1CC[C@H](C2)C(C)(C)C)NC(=O)CCCC(=O)[O-]

InChI

InChI=1S/C21H32N2O4S/c1-12(2)22-19(27)18-14-10-9-13(21(3,4)5)11-15(14)28-20(18)23-16(24)7-6-8-17(25)26/h12-13H,6-11H2,1-5H3,(H,22,27)(H,23,24)(H,25,26)/p-1/t13-/m1/s1