(Q105218024)

English

[(2R,3S)-4-[[(2S)-2-[[(2R,4R)-2,4-dimethyloctanoyl]-methylamino]-4-methylpentanoyl]amino]-3-[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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instance of

type of chemical entity

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subclass of

chemical compound

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mass

731.48331404 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₉H₆₅N₅O₈

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canonical SMILES

CCCCC(C)CC(C)C(=O)N(C)C(CC(C)C)C(=O)NC(=O)C(C(C)OC(C)=O)N(C)C(C(=O)N1CCCC1C(=O)N1C(=O)C=CC1C)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)NC(=O)[C@H]([C@@H](C)OC(C)=O)N(C)[C@H](C(=O)N1CCC[C@H]1C(=O)N1C(=O)C=C[C@@H]1C)C(C)C

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found in taxon

Lyngbya majuscula

3 references

stated in

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

stated in

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

stated in

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

Identifiers

InChI

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

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InChIKey

QBUSATFFOUNQGV-APCQCXEZSA-N

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1 reference

17 September 2022

inferred from InChIKey

1 reference

1 reference

matched by identifier from

InChIKey

QBUSATFFOUNQGV-APCQCXEZSA-N

(Q105218024)

[(2R,3S)-4-[[(2S)-2-[[(2R,4R)-2,4-dimethyloctanoyl]-methylamino]-4-methylpentanoyl]amino]-3-[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

Statements

Identifiers

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