tert-butyl (2S)-5-acetyloxy-2-[[2-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-3-ethylsulfonyl-propanoyl]amino]pentanoate

Systemtic Name: tert-butyl (2S)-5-acetyloxy-2-[[2-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-3-ethylsulfonyl-propanoyl]amino]pentanoate Openeye Name: tert-butyl (2S)-5-acetoxy-2-[[2-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-3-ethylsulfonyl-propanoyl]amino]pentanoate CAS Name: (2S)-5-acetyloxy-2-[[2-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-3-ethylsulfonyl-1-oxopropyl]amino]pentanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-5-acetyloxy-2-[[2-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-3-ethylsulfonylpropanoyl]amino]pentanoate Traditional Name: (2S)-5-acetoxy-2-[[2-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-3-esyl-propanoyl]amino]valeric acid tert-butyl ester Formula: C25H37NO9S MolecularWeight: 527.62758

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)CC(CC1=C2C(=CC=C1)OCCO2)C(=O)NC(CCCOC(=O)C)C(=O)OC(C)(C)C

Isomeric SMILES

CCS(=O)(=O)CC(CC1=C2C(=CC=C1)OCCO2)C(=O)N[C@@H](CCCOC(=O)C)C(=O)OC(C)(C)C

InChI

InChI=1S/C25H37NO9S/c1-6-36(30,31)16-19(15-18-9-7-11-21-22(18)34-14-13-33-21)23(28)26-20(10-8-12-32-17(2)27)24(29)35-25(3,4)5/h7,9,11,19-20H,6,8,10,12-16H2,1-5H3,(H,26,28)/t19?,20-/m0/s1