(Q105277755)

English

[(2R)-4-[[(3S)-1-hydroxy-2-oxoazepan-3-yl]amino]-4-oxobutan-2-yl] (2S)-6-[dodecanoyl(hydroxy)amino]-2-[[(4R)-2-(2-hydroxyphenyl)-4-methyl-5H-1,3-oxazole-4-carbonyl]amino]hexanoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

azepine alkaloid

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mass

759.441843152 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₉H₆₁N₅O₁₀

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canonical SMILES

CCCCCCCCCCCC(=O)N(O)CCCCC(NC(=O)C1(C)COC(c2ccccc2O)=N1)C(=O)OC(C)CC(=O)NC1CCCCN(O)C1=O

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isomeric SMILES

CCCCCCCCCCCC(=O)N(O)CCCC[C@H](NC(=O)[C@@]1(C)COC(c2ccccc2O)=N1)C(=O)O[C@H](C)CC(=O)N[C@H]1CCCCN(O)C1=O

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found in taxon

Nocardia

1 reference

stated in

BE-32030 A, B, C, D and E, new antitumor substances produced by Nocardia sp. A32030

Identifiers

InChI

InChI=1S/C39H61N5O10/c1-4-5-6-7-8-9-10-11-12-23-34(47)43(51)24-17-16-21-31(41-38(50)39(3)27-53-35(42-39)29-19-13-14-22-32(29)45)37(49)54-28(2)26-33(46)40-30-20-15-18-25-44(52)36(30)48/h13-14,19,22,28,30-31,45,51-52H,4-12,15-18,20-21,23-27H2,1-3H3,(H,40,46)(H,41,50)/t28-,30+,31+,39-/m1/s1

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InChIKey

URFDWSBPDLCXON-IJOISBNWSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

URFDWSBPDLCXON-IJOISBNWSA-N

(Q105277755)

[(2R)-4-[[(3S)-1-hydroxy-2-oxoazepan-3-yl]amino]-4-oxobutan-2-yl] (2S)-6-[dodecanoyl(hydroxy)amino]-2-[[(4R)-2-(2-hydroxyphenyl)-4-methyl-5H-1,3-oxazole-4-carbonyl]amino]hexanoate

Statements

Identifiers

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