(Q105138392)

English

2-amino-1-[(13E)-10-benzyl-8,11-dihydroxy-16-methoxy-2-oxa-6,9,12-triazatricyclo[13.3.1.0³,⁷]nonadeca-1(18),8,11,13,15(19),16-hexaen-6-yl]-3-methylpentan-1-one

group of stereoisomers with the chemical formula C₂₉H₃₆N₄O₅

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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

520.268570252 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₉H₃₆N₄O₅

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canonical SMILES

CCC(C)C(N)C(=O)N1CCC2Oc3ccc(OC)c(c3)C=CNC(=O)C(Cc3ccccc3)NC(=O)C21

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isomeric SMILES

CCC(C)C(N)C(=O)N1CCC2Oc3ccc(OC)c(c3)/C=C/NC(=O)C(Cc3ccccc3)NC(=O)C21

1 reference

1 reference

Tscheschamine — A New Cyclopeptide Alkaloid from the Bark of Zizyphus sativa Gaertn

Identifiers

InChI

InChI=1S/C29H36N4O5/c1-4-18(2)25(30)29(36)33-15-13-24-26(33)28(35)32-22(16-19-8-6-5-7-9-19)27(34)31-14-12-20-17-21(38-24)10-11-23(20)37-3/h5-12,14,17-18,22,24-26H,4,13,15-16,30H2,1-3H3,(H,31,34)(H,32,35)/b14-12+

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InChIKey

KBOOVCBYCPJVOF-WYMLVPIESA-N

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(Q105138392)

2-amino-1-[(13E)-10-benzyl-8,11-dihydroxy-16-methoxy-2-oxa-6,9,12-triazatricyclo[13.3.1.0³,⁷]nonadeca-1(18),8,11,13,15(19),16-hexaen-6-yl]-3-methylpentan-1-one

Statements

Identifiers

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