(Q104203180)

English

N-[5-benzyl-2-butan-2-yl-21-methoxy-4,11-dimethyl-15-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]-2-[[2-hydroxy-3-(4-hydroxyphenyl)propanoyl]amino]butanediamide

group of stereoisomers with the chemical formula C₅₀H₇₂N₈O₁₃

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instance of

group of stereoisomers

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subclass of

biogenic cyclopeptide

1 reference

inferred from

biogenic cyclopeptide

mass

992.5218843640001 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₅₀H₇₂N₈O₁₃

0 references

canonical SMILES

CCC(C)C1C(=O)N(C)C(Cc2ccccc2)C(=O)NC(C(C)C)C(=O)OC(C)C(NC(=O)C(CC(N)=O)NC(=O)C(O)Cc2ccc(O)cc2)C(=O)NC(CC(C)C)C(=O)NC2CCC(OC)N1C2=O

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Identifiers

InChI

InChI=1S/C50H72N8O13/c1-10-28(6)42-49(68)57(8)36(23-30-14-12-11-13-15-30)45(64)55-40(27(4)5)50(69)71-29(7)41(47(66)54-34(22-26(2)3)43(62)52-33-20-21-39(70-9)58(42)48(33)67)56-44(63)35(25-38(51)61)53-46(65)37(60)24-31-16-18-32(59)19-17-31/h11-19,26-29,33-37,39-42,59-60H,10,20-25H2,1-9H3,(H2,51,61)(H,52,62)(H,53,65)(H,54,66)(H,55,64)(H,56,63)

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InChIKey

LEMGGXYDKCZIKV-UHFFFAOYSA-N

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2 references

15 September 2022

matched by identifier from

InChIKey

LEMGGXYDKCZIKV-UHFFFAOYSA-N

(Q104203180)

N-[5-benzyl-2-butan-2-yl-21-methoxy-4,11-dimethyl-15-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]-2-[[2-hydroxy-3-(4-hydroxyphenyl)propanoyl]amino]butanediamide

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Identifiers

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