(Q103816678)

English

2-[17-(3-aminopropyl)-14-butan-2-yl-5-[(5-chloro-1H-indol-3-yl)methyl]-11-(3-methylbutyl)-3,6,9,12,15,18-hexaoxo-8-propan-2-yl-1,4,7,10,13,16-hexazacyclooctadec-2-yl]-2-hydroxyacetamide

group of stereoisomers with the chemical formula C₃₈H₅₈ClN₉O₈

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Statements

instance of

group of stereoisomers

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subclass of

biogenic cyclopeptide

1 reference

inferred from

biogenic cyclopeptide

mass

803.409687496 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₈H₅₈ClN₉O₈

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canonical SMILES

CCC(C)C1NC(=O)C(CCC(C)C)NC(=O)C(C(C)C)NC(=O)C(Cc2c[nH]c3ccc(Cl)cc23)NC(=O)C(C(O)C(N)=O)NC(=O)C(CCCN)NC1=O

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found in taxon

Streptomyces albidoflavus

1 reference

stated in

Genomics-Driven Discovery of Chlorinated Cyclic Hexapeptides Ulleungmycins A and B from a Streptomyces Species.

Identifiers

InChI

InChI=1S/C38H58ClN9O8/c1-7-20(6)29-37(55)43-25(9-8-14-40)33(51)48-30(31(49)32(41)50)38(56)45-27(15-21-17-42-24-13-11-22(39)16-23(21)24)35(53)46-28(19(4)5)36(54)44-26(34(52)47-29)12-10-18(2)3/h11,13,16-20,25-31,42,49H,7-10,12,14-15,40H2,1-6H3,(H2,41,50)(H,43,55)(H,44,54)(H,45,56)(H,46,53)(H,47,52)(H,48,51)

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InChIKey

BEHXRGQIVXRKLZ-UHFFFAOYSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

BEHXRGQIVXRKLZ-UHFFFAOYSA-N

(Q103816678)

2-[17-(3-aminopropyl)-14-butan-2-yl-5-[(5-chloro-1H-indol-3-yl)methyl]-11-(3-methylbutyl)-3,6,9,12,15,18-hexaoxo-8-propan-2-yl-1,4,7,10,13,16-hexazacyclooctadec-2-yl]-2-hydroxyacetamide

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Identifiers

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