(Q115970953)

English

2-[[3-benzyl-9-[2-(4-methoxyphenyl)ethyl]-6,7-dimethyl-2,5,8,11,14-pentaoxo-12-propan-2-yl-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]-5-(diaminomethylideneamino)pentanoic acid

group of stereoisomers with the chemical formula C₄₂H₆₂N₁₀O₉

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

850.470123564 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₂H₆₂N₁₀O₉

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canonical SMILES

O=C(O)C(NC(=O)NC1C(=O)NC(C(=O)NC(C(=O)N(C)C(C(=O)NC(C(=O)NCCCC1)CC=2C=CC=CC2)C)CCC3=CC=C(OC)C=C3)C(C)C)CCCN=C(N)N

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found in taxon

Planktothrix agardhii

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stated in

Anabaenopeptins G and H, potent carboxypeptidase A inhibitors from the cyanobacterium Oscillatoria agardhii (NIES-595)

Identifiers

InChI

InChI=1S/C42H62N10O9/c1-25(2)34-38(56)47-31(21-18-27-16-19-29(61-5)20-17-27)39(57)52(4)26(3)35(53)48-33(24-28-12-7-6-8-13-28)36(54)45-22-10-9-14-30(37(55)51-34)49-42(60)50-32(40(58)59)15-11-23-46-41(43)44/h6-8,12-13,16-17,19-20,25-26,30-34H,9-11,14-15,18,21-24H2,1-5H3,(H,45,54)(H,47,56)(H,48,53)(H,51,55)(H,58,59)(H4,43,44,46)(H2,49,50,60)

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InChIKey

JYTRVVXSKRNOSE-UHFFFAOYSA-N

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1 reference

4 January 2023

inferred from InChIKey

(Q115970953)

2-[[3-benzyl-9-[2-(4-methoxyphenyl)ethyl]-6,7-dimethyl-2,5,8,11,14-pentaoxo-12-propan-2-yl-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]-5-(diaminomethylideneamino)pentanoic acid

Statements

Identifiers

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