(Q105311805)

English

(3R,10R,13R,16R,19R)-16-[(2R)-butan-2-yl]-3-[(2R)-2,3-dihydroxypropyl]-10,11,14-trimethyl-13-propan-2-yl-4-oxa-1,8,11,14,17-pentazabicyclo[17.4.0]tricosane-2,5,9,12,15,18-hexone

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

16-Butan-2-yl-3-(2,3-dihydroxypropyl)-10,11,14-trimethyl-13-propan-2-yl-4-oxa-1,8,11,14,17-pentazabicyclo[17.4.0]tricosane-2,5,9,12,15,18-hexone

1 reference

based on heuristic

inferred from SMILES

mass

625.368678212 dalton

1 reference

1 reference

C₃₀H₅₁N₅O₉

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canonical SMILES

CCC(C)C1NC(=O)C2CCCCN2C(=O)C(CC(O)CO)OC(=O)CCNC(=O)C(C)N(C)C(=O)C(C(C)C)N(C)C1=O

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isomeric SMILES

CC[C@@H](C)[C@H]1NC(=O)[C@H]2CCCCN2C(=O)[C@@H](C[C@@H](O)CO)OC(=O)CCNC(=O)[C@@H](C)N(C)C(=O)[C@@H](C(C)C)N(C)C1=O

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found in taxon

Metarhizium anisopliae

1 reference

stated in

Destruxin Ed1 a cyclopeptide from the fungus Metarhizium anisopliae

Identifiers

InChI

InChI=1S/C30H51N5O9/c1-8-18(4)24-29(42)34(7)25(17(2)3)30(43)33(6)19(5)26(39)31-13-12-23(38)44-22(15-20(37)16-36)28(41)35-14-10-9-11-21(35)27(40)32-24/h17-22,24-25,36-37H,8-16H2,1-7H3,(H,31,39)(H,32,40)/t18-,19-,20-,21-,22-,24-,25-/m1/s1

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InChIKey

WSFGUSJVLMZWTL-KKVCJFTFSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

WSFGUSJVLMZWTL-KKVCJFTFSA-N

(Q105311805)

(3R,10R,13R,16R,19R)-16-[(2R)-butan-2-yl]-3-[(2R)-2,3-dihydroxypropyl]-10,11,14-trimethyl-13-propan-2-yl-4-oxa-1,8,11,14,17-pentazabicyclo[17.4.0]tricosane-2,5,9,12,15,18-hexone

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