ethyl (E)-4-[(2S,3R,4R,5S)-5-[(E)-4-azanylbut-2-enyl]-3,4-bis(oxidanyl)oxan-2-yl]-3-methyl-but-2-enoate

Systemtic Name: ethyl (E)-4-[(2S,3R,4R,5S)-5-[(E)-4-azanylbut-2-enyl]-3,4-bis(oxidanyl)oxan-2-yl]-3-methyl-but-2-enoate Openeye Name: ethyl (E)-4-[(2S,3R,4R,5S)-5-[(E)-4-aminobut-2-enyl]-3,4-dihydroxy-tetrahydropyran-2-yl]-3-methyl-but-2-enoate CAS Name: (E)-4-[(2S,3R,4R,5S)-5-[(E)-4-aminobut-2-enyl]-3,4-dihydroxy-2-oxanyl]-3-methyl-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-4-[(2S,3R,4R,5S)-5-[(E)-4-aminobut-2-enyl]-3,4-dihydroxyoxan-2-yl]-3-methylbut-2-enoate Traditional Name: (E)-4-[(2S,3R,4R,5S)-5-[(E)-4-aminobut-2-enyl]-3,4-dihydroxy-tetrahydropyran-2-yl]-3-methyl-but-2-enoic acid ethyl ester Formula: C16H27NO5 MolecularWeight: 313.38928

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=C(C)CC1C(C(C(CO1)CC=CCN)O)O

Isomeric SMILES

CCOC(=O)/C=C(\C)/C[C@H]1[C@@H]([C@@H]([C@H](CO1)C/C=C/CN)O)O

InChI

InChI=1S/C16H27NO5/c1-3-21-14(18)9-11(2)8-13-16(20)15(19)12(10-22-13)6-4-5-7-17/h4-5,9,12-13,15-16,19-20H,3,6-8,10,17H2,1-2H3/b5-4+,11-9+/t12-,13-,15+,16-/m0/s1