(Q104197201)

English

3-Benzyl-12-butan-2-yl-6,7,13,15-tetramethyl-9-[[4-(3-methylbut-3-enoxy)phenyl]methyl]-4-oxa-1,7,10,13,16-pentazabicyclo[16.3.0]henicosane-2,5,8,11,14,17-hexone

group of stereoisomers with the chemical formula C₄₂H₅₇N₅O₈

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Statements

instance of

group of stereoisomers

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subclass of

biogenic cyclopeptide

1 reference

inferred from

biogenic cyclopeptide

mass

759.4207137840001 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₄₂H₅₇N₅O₈

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canonical SMILES

C=C(C)CCOc1ccc(CC2NC(=O)C(C(C)CC)N(C)C(=O)C(C)NC(=O)C3CCCN3C(=O)C(Cc3ccccc3)OC(=O)C(C)N(C)C2=O)cc1

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Identifiers

InChI

InChI=1S/C42H57N5O8/c1-9-27(4)36-38(49)44-33(24-31-17-19-32(20-18-31)54-23-21-26(2)3)40(51)45(7)29(6)42(53)55-35(25-30-14-11-10-12-15-30)41(52)47-22-13-16-34(47)37(48)43-28(5)39(50)46(36)8/h10-12,14-15,17-20,27-29,33-36H,2,9,13,16,21-25H2,1,3-8H3,(H,43,48)(H,44,49)

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InChIKey

SDUUWTNLMDCMFD-UHFFFAOYSA-N

0 references

PubChem CID

163011526

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

SDUUWTNLMDCMFD-UHFFFAOYSA-N

(Q104197201)

3-Benzyl-12-butan-2-yl-6,7,13,15-tetramethyl-9-[[4-(3-methylbut-3-enoxy)phenyl]methyl]-4-oxa-1,7,10,13,16-pentazabicyclo[16.3.0]henicosane-2,5,8,11,14,17-hexone

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Identifiers

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