(Q105034381)

English

(3S,6S,9R,12S,19S)-3-benzyl-19-[(2S)-hexan-2-yl]-6-methyl-9-(2-methylpropyl)-12-propan-2-yl-1-oxa-4,7,10,13,16-pentazacyclononadecane-2,5,8,11,14,17-hexone

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

Arenamide B or Scopularide B

1 reference

1 reference

643.394499036 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₄H₅₃N₅O₇

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canonical SMILES

CCCCC(C)C1CC(=O)NCC(=O)NC(C(C)C)C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(Cc2ccccc2)C(=O)O1

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isomeric SMILES

CCCC[C@H](C)[C@@H]1CC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2ccccc2)C(=O)O1

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found in taxon

Scopulariopsis brevicaulis

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stated in

Scopularides A and B, cyclodepsipeptides from a marine sponge-derived fungus, Scopulariopsis brevicaulis

Microascus brevicaulis

1 reference

stated in

Scopularides A and B, cyclodepsipeptides from a marine sponge-derived fungus, Scopulariopsis brevicaulis

Identifiers

InChI

InChI=1S/C34H53N5O7/c1-8-9-13-22(6)27-18-28(40)35-19-29(41)39-30(21(4)5)33(44)37-25(16-20(2)3)32(43)36-23(7)31(42)38-26(34(45)46-27)17-24-14-11-10-12-15-24/h10-12,14-15,20-23,25-27,30H,8-9,13,16-19H2,1-7H3,(H,35,40)(H,36,43)(H,37,44)(H,38,42)(H,39,41)/t22-,23-,25+,26-,27-,30-/m0/s1

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InChIKey

HVPYLVISSBODEY-MKCNVSSZSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

HVPYLVISSBODEY-MKCNVSSZSA-N

(Q105034381)

(3S,6S,9R,12S,19S)-3-benzyl-19-[(2S)-hexan-2-yl]-6-methyl-9-(2-methylpropyl)-12-propan-2-yl-1-oxa-4,7,10,13,16-pentazacyclononadecane-2,5,8,11,14,17-hexone

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Identifiers

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