ethyl (Z,5R)-2-iodanyl-5-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-sulfanyl-propanoyl]oxy-hex-2-enoate

Systemtic Name: ethyl (Z,5R)-2-iodanyl-5-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-sulfanyl-propanoyl]oxy-hex-2-enoate Openeye Name: ethyl (Z,5R)-5-[(2S)-2-(tert-butoxycarbonylamino)-3-sulfanyl-propanoyl]oxy-2-iodo-hex-2-enoate CAS Name: (Z,5R)-2-iodo-5-[(2S)-3-mercapto-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopropoxy]-2-hexenoic acid ethyl ester IUPAC Name: ethyl (Z,5R)-2-iodo-5-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-sulfanylpropanoyl]oxyhex-2-enoate Traditional Name: (Z,5R)-5-[(2S)-2-(tert-butoxycarbonylamino)-3-mercapto-propanoyl]oxy-2-iodo-hex-2-enoic acid ethyl ester Formula: C16H26INO6S MolecularWeight: 487.35021

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CCC(C)OC(=O)C(CS)NC(=O)OC(C)(C)C)I

Isomeric SMILES

CCOC(=O)/C(=C/C[C@@H](C)OC(=O)[C@@H](CS)NC(=O)OC(C)(C)C)/I

InChI

InChI=1S/C16H26INO6S/c1-6-22-13(19)11(17)8-7-10(2)23-14(20)12(9-25)18-15(21)24-16(3,4)5/h8,10,12,25H,6-7,9H2,1-5H3,(H,18,21)/b11-8-/t10-,12-/m1/s1