(Q105186910)

English

[(1S,2R,3R,4R,5R,6S,8R,9S,10S,13S,16S,17R,18S)-11-ethyl-8,9-dihydroxy-4,6,16,18-tetramethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl]methyl 2-[[(2R)-4-amino-2-methyl-4-oxobutanoyl]amino]benzoate

chemical compound

In more languages

Statements

type of chemical entity

0 references

N-{2-[({11-ethyl-8,9-dihydroxy-4,6,16,18-tetramethoxy-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-13-yl}methoxy)carbonyl]phenyl}-2-methylbutanediimidic acid

1 reference

based on heuristic

inferred from SMILES

[(5R,8R)-11-ethyl-8,9-dihydroxy-4,6,16,18-tetramethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl]methyl 2-[(4-amino-2-methyl-4-oxobutanoyl)amino]benzoate

1 reference

based on heuristic

inferred from SMILES

699.373094896 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1S,2R,3R,4S,5R,6S,8R,9S,10S,13S,16S,17R,18S)-11-ethyl-8,9-dihydroxy-4,6,16,18-tetramethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl]methyl 2-[[(2R)-4-amino-2-methyl-4-oxobutanoyl]amino]benzoate

1 reference

based on heuristic

inferred from InChI

[(1S,2R,3R,4S,5R,6S,8R,9S,10S,13S,16R,17R,18S)-11-ethyl-8,9-dihydroxy-4,6,16,18-tetramethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl]methyl 2-[[(2R)-4-amino-2-methyl-4-oxobutanoyl]amino]benzoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₇H₅₃N₃O₁₀

0 references

canonical SMILES

CCN1CC2(COC(=O)c3ccccc3NC(=O)C(C)CC(N)=O)CCC(OC)C34C5CC6C(OC)CC(O)(C5C6OC)C(O)(C(OC)C23)C14

0 references

isomeric SMILES

CCN1C[C@]2(COC(=O)c3ccccc3NC(=O)[C@H](C)CC(N)=O)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14

0 references

Delphinium majus

1 reference

Diterpenoid Alkaloids from Delphinium majus

Identifiers

InChI=1S/C37H53N3O10/c1-7-40-17-34(18-50-32(43)20-10-8-9-11-23(20)39-31(42)19(2)14-26(38)41)13-12-25(47-4)36-22-15-21-24(46-3)16-35(44,27(22)28(21)48-5)37(45,33(36)40)30(49-6)29(34)36/h8-11,19,21-22,24-25,27-30,33,44-45H,7,12-18H2,1-6H3,(H2,38,41)(H,39,42)/t19-,21-,22-,24+,25+,27-,28-,29-,30+,33+,34+,35-,36+,37-/m1/s1

0 references

NXAZXMKMGPWXII-GRBHTPIASA-N

0 references

2 references

17 September 2022

based on heuristic

inferred from InChIKey

matched by identifier from

NXAZXMKMGPWXII-GRBHTPIASA-N

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