butyl (2S)-2-[(2S,3S,4S,5S,6S)-6-(2,4-dimethoxyphenyl)-4-(hydroxymethyl)-1,3,4,5-tetrakis(oxidanyl)piperidin-2-yl]-2-[[(2S)-3-(4-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]ethanoate

Systemtic Name: butyl (2S)-2-[(2S,3S,4S,5S,6S)-6-(2,4-dimethoxyphenyl)-4-(hydroxymethyl)-1,3,4,5-tetrakis(oxidanyl)piperidin-2-yl]-2-[[(2S)-3-(4-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]ethanoate Openeye Name: butyl (2S)-2-[[(2S)-2-(benzyloxycarbonylamino)-3-(4-hydroxyphenyl)propanoyl]amino]-2-[(2S,3S,4S,5S,6S)-6-(2,4-dimethoxyphenyl)-1,3,4,5-tetrahydroxy-4-(hydroxymethyl)-2-piperidyl]acetate CAS Name: (2S)-2-[(2S,3S,4S,5S,6S)-6-(2,4-dimethoxyphenyl)-1,3,4,5-tetrahydroxy-4-(hydroxymethyl)-2-piperidinyl]-2-[[(2S)-3-(4-hydroxyphenyl)-1-oxo-2-(phenylmethoxycarbonylamino)propyl]amino]acetic acid butyl ester IUPAC Name: butyl (2S)-2-[(2S,3S,4S,5S,6S)-6-(2,4-dimethoxyphenyl)-1,3,4,5-tetrahydroxy-4-(hydroxymethyl)piperidin-2-yl]-2-[[(2S)-3-(4-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]acetate Traditional Name: (2S)-2-[[(2S)-2-(benzyloxycarbonylamino)-3-(4-hydroxyphenyl)propanoyl]amino]-2-[(2S,3S,4S,5S,6S)-6-(2,4-dimethoxyphenyl)-1,3,4,5-tetrahydroxy-4-methylol-2-piperidyl]acetic acid butyl ester Formula: C37H47N3O13 MolecularWeight: 741.78138

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C(C1C(C(C(C(N1O)C2=C(C=C(C=C2)OC)OC)O)(CO)O)O)NC(=O)C(CC3=CC=C(C=C3)O)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CCCCOC(=O)[C@H]([C@H]1[C@@H]([C@@]([C@H]([C@@H](N1O)C2=C(C=C(C=C2)OC)OC)O)(CO)O)O)NC(=O)[C@H](CC3=CC=C(C=C3)O)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C37H47N3O13/c1-4-5-17-52-35(46)29(31-33(44)37(48,21-41)32(43)30(40(31)49)26-16-15-25(50-2)19-28(26)51-3)39-34(45)27(18-22-11-13-24(42)14-12-22)38-36(47)53-20-23-9-7-6-8-10-23/h6-16,19,27,29-33,41-44,48-49H,4-5,17-18,20-21H2,1-3H3,(H,38,47)(H,39,45)/t27-,29-,30-,31-,32-,33-,37-/m0/s1