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

Preferred term

sphaerocyclamide  

Type

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

Broader concept

charge

  • 0

formula

  • C46H63N9O11

inchi

  • InChI=1S/C46H63N9O11/c1-26(2)19-21-66-31-15-13-30(14-16-31)22-33-42(61)52-34(23-29-10-7-6-8-11-29)46(65)55-20-9-12-36(55)44(63)49-28(5)40(59)50-32(17-18-37(47)57)41(60)48-24-38(58)54-39(27(3)4)45(64)53-35(25-56)43(62)51-33/h6-8,10-11,13-16,19,27-28,32-36,39,56H,9,12,17-18,20-25H2,1-5H3,(H2,47,57)(H,48,60)(H,49,63)(H,50,59)(H,51,62)(H,52,61)(H,53,64)(H,54,58)/t28-,32-,33-,34-,35-,36-,39-/m0/s1

inchikey

  • JKBXTXMXBDJJQA-SJHSMXDOSA-N

mass

  • 918.062

monoisotopicmass

  • 917.46470

smiles

  • O=C1N2[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(N[C@H](C(N[C@H](C(N[C@H]1CC3=CC=CC=C3)=O)CC4=CC=C(OCC=C(C)C)C=C4)=O)CO)=O)C(C)C)CCC(=O)N)C)CCC2

subset

  • 2_STAR

synonym EXACT

  • 3-[(3S,6S,9S,12S,18S,21S,24S)-3-benzyl-9-(hydroxymethyl)-21-methyl-6-[[4-(3-methylbut-2-enoxy)phenyl]methyl]-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1,4,7,10,13,16,19,22-octazabicyclo[22.3.0]heptacosan-18-yl]propanamide

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:213248

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