(Q104946797)

English

(3R,7S,13S,16Z)-6-[(2R,3R)-2-amino-3-methylpentanoyl]-2-oxa-6,9,15-triazatetracyclo[16.2.2.03,7.09,13]docosa-1(21),16,18(22),19-tetraene-8,14-dione

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

chemical compound

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mass

440.242355504 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₄H₃₂N₄O₄

0 references

canonical SMILES

CCC(C)C(N)C(=O)N1CCC2Oc3ccc(cc3)C=CNC(=O)C3CCCN3C(=O)C21

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isomeric SMILES

CC[C@@H](C)[C@@H](N)C(=O)N1CC[C@H]2Oc3ccc(cc3)/C=C\NC(=O)[C@@H]3CCCN3C(=O)[C@H]21

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found in taxon

Zizyphus spina-christi

1 reference

stated in

Cyclopeptide alkaloids from Zizyphus spina-christi

Identifiers

InChI

InChI=1S/C24H32N4O4/c1-3-15(2)20(25)23(30)28-14-11-19-21(28)24(31)27-13-4-5-18(27)22(29)26-12-10-16-6-8-17(32-19)9-7-16/h6-10,12,15,18-21H,3-5,11,13-14,25H2,1-2H3,(H,26,29)/b12-10-/t15-,18+,19-,20-,21+/m1/s1

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InChIKey

BVQSOVULWZVQAQ-VTOOTUDDSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

BVQSOVULWZVQAQ-VTOOTUDDSA-N

(Q104946797)

(3R,7S,13S,16Z)-6-[(2R,3R)-2-amino-3-methylpentanoyl]-2-oxa-6,9,15-triazatetracyclo[16.2.2.03,7.09,13]docosa-1(21),16,18(22),19-tetraene-8,14-dione

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Identifiers

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