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

Preferred term

bergofungin d  

Type

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

Broader concept

charge

  • 0

formula

  • C69H113N15O18

inchi

  • InChI=1S/C69H113N15O18/c1-20-69(19,63(102)84-34-43(88)31-47(84)55(94)78-64(9,10)58(97)73-41(35-85)29-40-24-22-21-23-25-40)80-52(91)44(26-27-48(70)89)75-54(93)46-30-42(87)33-83(46)62(101)68(17,18)82-61(100)66(13,14)77-53(92)45(28-36(2)3)74-49(90)32-71-56(95)50(37(4)5)76-59(98)65(11,12)81-60(99)67(15,16)79-57(96)51(38(6)7)72-39(8)86/h21-25,36-38,41-47,50-51,85,87-88H,20,26-35H2,1-19H3,(H2,70,89)(H,71,95)(H,72,86)(H,73,97)(H,74,90)(H,75,93)(H,76,98)(H,77,92)(H,78,94)(H,79,96)(H,80,91)(H,81,99)(H,82,100)

inchikey

  • TWECEMYZYGHZNE-UHFFFAOYSA-N

mass

  • 1440.750

monoisotopicmass

  • 1439.83880

smiles

  • O=C(N1C(C(=O)NC(C(=O)NC(CO)CC2=CC=CC=C2)(C)C)CC(C1)O)C(NC(=O)C(NC(=O)C3N(C(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C)C(C)C)(C)C)(C)C)C(C)C)CC(C)C)(C)C)(C)C)CC(C3)O)CCC(=O)N)(CC)C

subset

  • 2_STAR

synonym EXACT

  • 2-[[1-[2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-acetamido-3-methylbutanoyl)amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]-3-methylbutanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]-N-[1-[4-hydroxy-2-[[1-[(1-hydroxy-3-phenylpropan-2-yl)amino]-2-methyl-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-methyl-1-oxobutan-2-yl]pentanediamide

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:225076

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