(Q105031113)

English

(3S,7S,10R,13E)-10-[(2S)-butan-2-yl]-6-[(2S)-2-(dimethylamino)-3-phenylpropanoyl]-16-methoxy-2-oxa-6,9,12-triazatricyclo[13.3.1.03,7]nonadeca-1(19),13,15,17-tetraene-8,11-dione

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

biogenic cyclopeptide

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mass

548.29987038 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₁H₄₀N₄O₅

0 references

canonical SMILES

CCC(C)C1NC(=O)C2C(CCN2C(=O)C(Cc2ccccc2)N(C)C)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](Cc2ccccc2)N(C)C)Oc2ccc(OC)c(c2)/C=C/NC1=O

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found in taxon

Paliurus ramosissimus

1 reference

stated in

Cyclopeptide alkaloids from Paliurus ramossisimus

Identifiers

InChI

InChI=1S/C31H40N4O5/c1-6-20(2)27-29(36)32-16-14-22-19-23(12-13-25(22)39-5)40-26-15-17-35(28(26)30(37)33-27)31(38)24(34(3)4)18-21-10-8-7-9-11-21/h7-14,16,19-20,24,26-28H,6,15,17-18H2,1-5H3,(H,32,36)(H,33,37)/b16-14+/t20-,24-,26-,27+,28-/m0/s1

0 references

InChIKey

HNXUZKFGAGMGCX-ZRSRCNGZSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

HNXUZKFGAGMGCX-ZRSRCNGZSA-N

(Q105031113)

(3S,7S,10R,13E)-10-[(2S)-butan-2-yl]-6-[(2S)-2-(dimethylamino)-3-phenylpropanoyl]-16-methoxy-2-oxa-6,9,12-triazatricyclo[13.3.1.03,7]nonadeca-1(19),13,15,17-tetraene-8,11-dione

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Identifiers

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