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Chemistry, part 1

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > carboxamide > peptide > heinamide a2
organooxygen compound > carboxamide > peptide > heinamide a2
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > carboxamide > peptide > heinamide a2
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic amino compound > peptide > heinamide a2
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organic amino compound > peptide > heinamide a2

Preferred term

heinamide a2  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C60H87N11O15

inchi

  • InChI=1S/C60H87N11O15/c1-7-10-12-18-38-28-49(76)63-45(32-72)54(80)64-41(9-3)59(85)70-24-15-19-47(70)57(83)68-46(33-73)55(81)66-43(26-37-20-22-39(74)23-21-37)52(78)65-42(25-34(4)5)53(79)69-51(35(6)8-2)58(84)67-44(27-36-16-13-11-14-17-36)60(86)71-31-40(75)29-48(71)56(82)61-30-50(77)62-38/h9,11,13-14,16-17,20-23,34-35,38,40,42-48,51,72-75H,7-8,10,12,15,18-19,24-33H2,1-6H3,(H,61,82)(H,62,77)(H,63,76)(H,64,80)(H,65,78)(H,66,81)(H,67,84)(H,68,83)(H,69,79)/b41-9+/t35-,38+,40+,42+,43+,44+,45-,46-,47-,48-,51-/m0/s1

inchikey

  • HYJDKTCLVOVFBX-AJKNKOHSSA-N

mass

  • 1202.418

monoisotopicmass

  • 1201.63831

smiles

  • O=C/1N2[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](CC3=CC=CC=C3)C(N4[C@H](C(NCC(N[C@@H](CC(N[C@H](C(N/C1=C/C)=O)CO)=O)CCCCC)=O)=O)C[C@@H](O)C4)=O)[C@H](CC)C)CC(C)C)CC5=CC=C(O)C=C5)CO)CCC2

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:221372

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