(Q104199636)

English

3-[13-decan-2-yl-3-(hydroxymethyl)-6-(1H-indole-3-carbonyl)-12-methyl-2,5,8,11-tetraoxo-1-oxa-4,7,10-triazacyclotridec-9-yl]propanoic acid

group of stereoisomers with the chemical formula C₃₃H₄₆N₄O₉

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No label defined

No description defined

Statements

group of stereoisomers

0 references

biogenic cyclopeptide

1 reference

biogenic cyclopeptide

642.326479052 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₃H₄₆N₄O₉

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canonical SMILES

CCCCCCCCC(C)C1OC(=O)C(CO)NC(=O)C(C(=O)c2c[nH]c3ccccc23)NC(=O)C(CCC(=O)O)NC(=O)C1C

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Arthrinium phaeospermum

1 reference

Arthrichitin. A New Cell Wall Active Metabolite from Arthrinium phaeospermum.

Identifiers

InChI=1S/C33H46N4O9/c1-4-5-6-7-8-9-12-19(2)29-20(3)30(42)35-24(15-16-26(39)40)31(43)37-27(32(44)36-25(18-38)33(45)46-29)28(41)22-17-34-23-14-11-10-13-21(22)23/h10-11,13-14,17,19-20,24-25,27,29,34,38H,4-9,12,15-16,18H2,1-3H3,(H,35,42)(H,36,44)(H,37,43)(H,39,40)

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VNRAPWIEXZLTKI-UHFFFAOYSA-N

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1 reference

26 December 2021

mapping relation type

1 reference

matched by identifier from

International Chemical Identifier

InChI=1S/C33H46N4O9/c1-4-5-6-7-8-9-12-19(2)29-20(3)30(42)35-24(15-16-26(39)40)31(43)37-27(32(44)36-25(18-38)33(45)46-29)28(41)22-17-34-23-14-11-10-13-21(22)23/h10-11,13-14,17,19-20,24-25,27,29,34,38H,4-9,12,15-16,18H2,1-3H3,(H,35,42)(H,36,44)(H,37,43)(H,39,40)

UniChem compound ID

1 reference

Natural Product Atlas ID

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

VNRAPWIEXZLTKI-UHFFFAOYSA-N

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