(Q105198782)

English

(3S)-3-[[(2S,3R,4R,5S)-5-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-2,3,4,6-tetrahydroxyhexanoyl]amino]-3-phenylpropanoic acid

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

3-[[5-[[2-[[2-[(2-Amino-3-methylbutanoyl)amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-2,3,4,6-tetrahydroxyhexanoyl]amino]-3-phenylpropanoic acid

1 reference

based on heuristic

inferred from SMILES

mass

667.379242896 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₂H₅₃N₅O₁₀

0 references

canonical SMILES

CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(N)C(C)C)C(=O)NC(CO)C(O)C(O)C(O)C(=O)NC(CC(=O)O)c1ccccc1

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isomeric SMILES

CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](CO)[C@@H](O)[C@@H](O)[C@H](O)C(=O)N[C@@H](CC(=O)O)c1ccccc1

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found in taxon

Bacillus

1 reference

stated in

Pyloricidins, novel anti-helicobacterpylori antibiotics produced by Bacillus sp. I. Taxonomy, fermentation and biological activity.

Identifiers

InChI

InChI=1S/C32H53N5O10/c1-16(2)12-21(35-29(44)22(13-17(3)4)36-31(46)25(33)18(5)6)30(45)37-23(15-38)26(41)27(42)28(43)32(47)34-20(14-24(39)40)19-10-8-7-9-11-19/h7-11,16-18,20-23,25-28,38,41-43H,12-15,33H2,1-6H3,(H,34,47)(H,35,44)(H,36,46)(H,37,45)(H,39,40)/t20-,21-,22-,23-,25-,26+,27+,28-/m0/s1

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InChIKey

OSCGRQUBTJHTHZ-GVWMMKRUSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

OSCGRQUBTJHTHZ-GVWMMKRUSA-N

1 reference

(Q105198782)

(3S)-3-[[(2S,3R,4R,5S)-5-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-2,3,4,6-tetrahydroxyhexanoyl]amino]-3-phenylpropanoic acid

Statements

Identifiers

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