(Q103818071)

English

2-[17-(3-aminopropyl)-14-butan-2-yl-5-[(5-chloro-1H-indol-3-yl)methyl]-11-(2-methylpropyl)-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 C₃₇H₅₆ClN₉O₈

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instance of

group of stereoisomers

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subclass of

biogenic cyclopeptide

1 reference

inferred from

biogenic cyclopeptide

mass

789.3940374320001 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₇H₅₆ClN₉O₈

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canonical SMILES

CCC(C)C1NC(=O)C(CC(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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Identifiers

InChI

InChI=1S/C37H56ClN9O8/c1-7-19(6)28-36(54)42-24(9-8-12-39)32(50)47-29(30(48)31(40)49)37(55)44-26(14-20-16-41-23-11-10-21(38)15-22(20)23)34(52)45-27(18(4)5)35(53)43-25(13-17(2)3)33(51)46-28/h10-11,15-19,24-30,41,48H,7-9,12-14,39H2,1-6H3,(H2,40,49)(H,42,54)(H,43,53)(H,44,55)(H,45,52)(H,46,51)(H,47,50)

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InChIKey

CUXAULQHGRSWLF-UHFFFAOYSA-N

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PubChem CID

147294788

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

CUXAULQHGRSWLF-UHFFFAOYSA-N

1 reference

(Q103818071)

2-[17-(3-aminopropyl)-14-butan-2-yl-5-[(5-chloro-1H-indol-3-yl)methyl]-11-(2-methylpropyl)-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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