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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 > oligopeptide > heinamide b4
organooxygen compound > carboxamide > peptide > oligopeptide > heinamide b4
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > carboxamide > peptide > oligopeptide > heinamide b4
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic amino compound > peptide > oligopeptide > heinamide b4
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organic amino compound > peptide > oligopeptide > heinamide b4

Preferred term

heinamide b4  

Type

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

Broader concept

charge

  • 0

formula

  • C71H118N14O21

inchi

  • InChI=1S/C71H118N14O21/c1-15-18-19-20-42-31-50(91)79-52(37(10)16-2)63(97)83-55(58(92)36(8)9)66(100)75-44(27-28-106-71(73)105)60(94)77-46(29-34(4)5)61(95)76-45(25-26-49(72)90)69(103)84(14)56(38(11)17-3)67(101)82-54(48(89)33-86)65(99)80-51(35(6)7)70(104)85-32-39(12)59(93)57(85)68(102)78-47(30-41-21-23-43(88)24-22-41)62(96)81-53(40(13)87)64(98)74-42/h21-24,34-40,42,44-48,51-59,86-89,92-93H,15-20,25-33H2,1-14H3,(H2,72,90)(H2,73,105)(H,74,98)(H,75,100)(H,76,95)(H,77,94)(H,78,102)(H,79,91)(H,80,99)(H,81,96)(H,82,101)(H,83,97)/t37-,38+,39?,40-,42-,44+,45+,46-,47-,48?,51-,52+,53+,54-,55-,56+,57+,58?,59+/m1/s1

inchikey

  • AMUCLYNBUQYTIJ-TUQCQTJRSA-N

mass

  • 1503.802

monoisotopicmass

  • 1502.85960

smiles

  • O=C1N([C@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N2[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](CC(N[C@H](C(N[C@@H](C(N[C@H](C(N[C@@H](C(N[C@H]1CCC(=O)N)=O)CC(C)C)=O)CCOC(=O)N)=O)C(O)C(C)C)=O)[C@@H](CC)C)=O)CCCCC)[C@H](O)C)CC3=CC=C(O)C=C3)[C@@H](O)C(C2)C)C(C)C)C(O)CO)[C@H](CC)C)C

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:221393

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