(Q105253616)

English

N-[(2R,3S)-1-[(3S,7S,10S,13Z)-10-[(2S)-butan-2-yl]-16-methoxy-8,11-dioxo-2-oxa-6,9,12-triazatricyclo[13.3.1.03,7]nonadeca-1(19),13,15,17-tetraen-6-yl]-3-methyl-1-oxopentan-2-yl]formamide

chemical compound

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instance of

type of chemical entity

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subclass of

N-[1-(10-butan-2-yl-16-methoxy-8,11-dioxo-2-oxa-6,9,12-triazatricyclo[13.3.1.03,7]nonadeca-1(19),13,15,17-tetraen-6-yl)-3-methyl-1-oxopentan-2-yl]formamide

1 reference

based on heuristic

inferred from SMILES

mass

514.279134936 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₇H₃₈N₄O₆

0 references

canonical SMILES

CCC(C)C1NC(=O)C2C(CCN2C(=O)C(NC=O)C(C)CC)Oc2ccc(OC)c(c2)C=CNC1=O

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isomeric SMILES

CC[C@H](C)[C@@H]1NC(=O)[C@@H]2[C@H](CCN2C(=O)[C@H](NC=O)[C@@H](C)CC)Oc2ccc(OC)c(c2)/C=C\NC1=O

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found in taxon

Ziziphus mauritiana

1 reference

stated in

Xylopyrine-A and xylopyrine-B, two new peptide alkaloids from Zizyphus xylopyra

Identifiers

InChI

InChI=1S/C27H38N4O6/c1-6-16(3)22-25(33)28-12-10-18-14-19(8-9-20(18)36-5)37-21-11-13-31(24(21)26(34)30-22)27(35)23(29-15-32)17(4)7-2/h8-10,12,14-17,21-24H,6-7,11,13H2,1-5H3,(H,28,33)(H,29,32)(H,30,34)/b12-10-/t16-,17-,21-,22-,23+,24-/m0/s1

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InChIKey

SICJMNVMLARZFI-SDXIMNBRSA-N

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1 reference

17 September 2022

inferred from InChIKey

(Q105253616)

N-[(2R,3S)-1-[(3S,7S,10S,13Z)-10-[(2S)-butan-2-yl]-16-methoxy-8,11-dioxo-2-oxa-6,9,12-triazatricyclo[13.3.1.03,7]nonadeca-1(19),13,15,17-tetraen-6-yl]-3-methyl-1-oxopentan-2-yl]formamide

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