(Q105345901)

English

methyl 3-[(3S,6S,9R,12S,13S)-13-[(2R)-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]propanoate

chemical compound

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instance of

type of chemical entity

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subclass of

methyl 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]propanoate

1 reference

based on heuristic

inferred from SMILES

mass

656.342129116 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₄H₄₈N₄O₉

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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)OC)NC(=O)C1C

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isomeric SMILES

CCCCCCCC[C@@H](C)[C@@H]1OC(=O)[C@H](CO)NC(=O)[C@H](C(=O)c2c[nH]c3ccccc23)NC(=O)[C@@H](CCC(=O)OC)NC(=O)[C@H]1C

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found in taxon

Halorosellinia oceanica

1 reference

stated in

Cell wall active antifungal compounds produced by the marine fungus Hypoxylon oceanicum LL-15G256. II. Isolation and structure determination

Identifiers

InChI

InChI=1S/C34H48N4O9/c1-5-6-7-8-9-10-13-20(2)30-21(3)31(42)36-25(16-17-27(40)46-4)32(43)38-28(33(44)37-26(19-39)34(45)47-30)29(41)23-18-35-24-15-12-11-14-22(23)24/h11-12,14-15,18,20-21,25-26,28,30,35,39H,5-10,13,16-17,19H2,1-4H3,(H,36,42)(H,37,44)(H,38,43)/t20-,21+,25-,26+,28+,30+/m1/s1

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InChIKey

YBKSIHZDLOALRC-VKLSVHHGSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

YBKSIHZDLOALRC-VKLSVHHGSA-N

1 reference

(Q105345901)

methyl 3-[(3S,6S,9R,12S,13S)-13-[(2R)-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]propanoate

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