(Q104179913)

English

N-[4-[8-benzyl-5,14,23-tri(butan-2-yl)-17-methyl-11-(2-methylpropyl)-3,6,9,12,15,18,21,24-octaoxo-20-propan-2-yl-1,4,7,10,13,16,19,22-octazacyclotetracos-2-yl]butyl]-7-(methylamino)-5,8-dioxoisoquinoline-4-carboxamide

group of stereoisomers with the chemical formula C₅₈H₈₅N₁₁O₁₁

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Statements

instance of

group of stereoisomers

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subclass of

isoquinoline alkaloid

1 reference

inferred from

isoquinoline alkaloid

biogenic cyclopeptide

1 reference

inferred from

biogenic cyclopeptide

mass

1,111.64300254 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₅₈H₈₅N₁₁O₁₁

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canonical SMILES

CCC(C)C1NC(=O)C(CC(C)C)NC(=O)C(Cc2ccccc2)NC(=O)C(C(C)CC)NC(=O)C(CCCCNC(=O)c2cncc3c2C(=O)C=C(NC)C3=O)NC(=O)C(C(C)CC)NC(=O)C(C(C)C)NC(=O)C(C)NC1=O

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Identifiers

InChI

InChI=1S/C58H85N11O11/c1-13-32(8)46-56(78)62-35(11)50(72)66-45(31(6)7)55(77)69-48(34(10)15-3)57(79)63-39(23-19-20-24-61-51(73)38-29-60-28-37-44(38)43(70)27-40(59-12)49(37)71)52(74)67-47(33(9)14-2)58(80)65-42(26-36-21-17-16-18-22-36)53(75)64-41(25-30(4)5)54(76)68-46/h16-18,21-22,27-35,39,41-42,45-48,59H,13-15,19-20,23-26H2,1-12H3,(H,61,73)(H,62,78)(H,63,79)(H,64,75)(H,65,80)(H,66,72)(H,67,74)(H,68,76)(H,69,77)

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InChIKey

NQOBVPUFNGRKAP-UHFFFAOYSA-N

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2 references

15 September 2022

matched by identifier from

InChIKey

NQOBVPUFNGRKAP-UHFFFAOYSA-N

(Q104179913)

N-[4-[8-benzyl-5,14,23-tri(butan-2-yl)-17-methyl-11-(2-methylpropyl)-3,6,9,12,15,18,21,24-octaoxo-20-propan-2-yl-1,4,7,10,13,16,19,22-octazacyclotetracos-2-yl]butyl]-7-(methylamino)-5,8-dioxoisoquinoline-4-carboxamide

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