(Q105188390)

English

3-[6,12,22-Tris(2-amino-2-oxoethyl)-19-(hydroxymethyl)-9-[(4-hydroxyphenyl)methyl]-2,5,8,11,14,18,21,24-octaoxo-16-tridecyl-1,4,7,10,13,17,20,23-octazabicyclo[23.3.0]octacosan-3-yl]propanamide

group of stereoisomers with the chemical formula C₅₀H₇₈N₁₂O₁₄

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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

1,070.576045176 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₅₀H₇₈N₁₂O₁₄

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canonical SMILES

CCCCCCCCCCCCCC1CC(=O)NC(CC(N)=O)C(=O)NC(Cc2ccc(O)cc2)C(=O)NC(CC(N)=O)C(=O)NC(CCC(N)=O)C(=O)N2CCCC2C(=O)NC(CC(N)=O)C(=O)NC(CO)C(=O)N1

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Identifiers

InChI

InChI=1S/C50H78N12O14/c1-2-3-4-5-6-7-8-9-10-11-12-14-30-24-43(69)56-34(25-40(52)66)45(71)58-33(23-29-16-18-31(64)19-17-29)44(70)59-35(26-41(53)67)46(72)57-32(20-21-39(51)65)50(76)62-22-13-15-38(62)49(75)60-36(27-42(54)68)47(73)61-37(28-63)48(74)55-30/h16-19,30,32-38,63-64H,2-15,20-28H2,1H3,(H2,51,65)(H2,52,66)(H2,53,67)(H2,54,68)(H,55,74)(H,56,69)(H,57,72)(H,58,71)(H,59,70)(H,60,75)(H,61,73)

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InChIKey

NZQWPBDCMOEBJS-UHFFFAOYSA-N

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2 references

15 September 2022

matched by identifier from

InChIKey

NZQWPBDCMOEBJS-UHFFFAOYSA-N

(Q105188390)

3-[6,12,22-Tris(2-amino-2-oxoethyl)-19-(hydroxymethyl)-9-[(4-hydroxyphenyl)methyl]-2,5,8,11,14,18,21,24-octaoxo-16-tridecyl-1,4,7,10,13,17,20,23-octazabicyclo[23.3.0]octacosan-3-yl]propanamide

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