(Q110187093)

English

[(2R,3S)-3-[[(2S)-2-[[(2R,4R)-2,4-dimethyloctanoyl]-methylamino]-4-methylpentanoyl]amino]-4-[methyl-[(2S)-3-methyl-1-[(2S)-2-[(2S)-2-methyl-5-oxo-2H-pyrrole-1-carbonyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]amino]-4-oxobutan-2-yl] acetate

chemical compound

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type of chemical entity

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subclass of

[(2R,3S)-3-[[(2S)-2-[[(2R,4R)-2,4-dimethyloctanoyl]-methylamino]-4-methylpentanoyl]amino]-4-[methyl-[(2S)-3-methyl-1-[(2S)-2-(2-methyl-5-oxo-2H-pyrrole-1-carbonyl)pyrrolidin-1-yl]-1-oxobutan-2-yl]amino]-4-oxobutan-2-yl] acetate

1 reference

based on heuristic

inferred from SMILES

mass

731.48331404 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₉H₆₅N₅O₈

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canonical SMILES

O=C(OC(C)C(NC(=O)C(N(C(=O)C(C)CC(C)CCCC)C)CC(C)C)C(=O)N(C)C(C(=O)N1CCCC1C(=O)N2C(=O)C=CC2C)C(C)C)C

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isomeric SMILES

CCCC[C@@H](C)C[C@@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N(C)[C@H](C(=O)N1CCC[C@H]1C(=O)N1C(=O)C=C[C@@H]1C)C(C)C)[C@@H](C)OC(C)=O

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found in taxon

Lyngbya majuscula

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stated in

Microcolins A and B, new immunosuppressive peptides from the blue-green alga Lyngbya majuscula

Moorea producens

1 reference

stated in

Cytotoxic Microcolin Lipopeptides from the Marine Cyanobacterium Moorea producens

Identifiers

InChI

InChI=1S/C39H65N5O8/c1-13-14-16-25(6)22-26(7)36(48)41(11)31(21-23(2)3)35(47)40-33(28(9)52-29(10)45)38(50)42(12)34(24(4)5)39(51)43-20-15-17-30(43)37(49)44-27(8)18-19-32(44)46/h18-19,23-28,30-31,33-34H,13-17,20-22H2,1-12H3,(H,40,47)/t25-,26-,27+,28-,30+,31+,33+,34+/m1/s1

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InChIKey

MNASOWORUXKEPP-APCQCXEZSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

MNASOWORUXKEPP-APCQCXEZSA-N

1 reference

(Q110187093)

[(2R,3S)-3-[[(2S)-2-[[(2R,4R)-2,4-dimethyloctanoyl]-methylamino]-4-methylpentanoyl]amino]-4-[methyl-[(2S)-3-methyl-1-[(2S)-2-[(2S)-2-methyl-5-oxo-2H-pyrrole-1-carbonyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]amino]-4-oxobutan-2-yl] acetate

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