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

Preferred term

mabuniamide  

Type

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

Broader concept

charge

  • 0

formula

  • C58H87N9O11

inchi

  • InChI=1S/C58H87N9O11/c1-14-23-47(68)62(9)39(8)54(73)66-30-21-28-43(66)56(75)64(11)45(33-40-24-17-15-18-25-40)51(70)60-42(32-36(2)3)55(74)65(12)50(38(6)7)53(72)61-49(37(4)5)52(71)59-35-48(69)63(10)46(34-41-26-19-16-20-27-41)57(76)67-31-22-29-44(67)58(77)78-13/h15-20,24-27,36-39,42-46,49-50H,14,21-23,28-35H2,1-13H3,(H,59,71)(H,60,70)(H,61,72)/t39-,42-,43-,44-,45-,46+,49-,50+/m0/s1

inchikey

  • BUBPCYJNLILLLQ-KZHFVTEZSA-N

mass

  • 1086.386

monoisotopicmass

  • 1085.65250

smiles

  • O=C(OC)[C@H]1N(C(=O)[C@H](N(C(=O)CNC(=O)[C@@H](NC(=O)[C@H](N(C(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@H]2N(C(=O)[C@@H](N(C(=O)CCC)C)C)CCC2)C)CC3=CC=CC=C3)CC(C)C)C)C(C)C)C(C)C)C)CC4=CC=CC=C4)CCC1

subset

  • 2_STAR

synonym EXACT

  • methyl (2S)-1-[(2R)-2-[[2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[butanoyl(methyl)amino]propanoyl]pyrrolidine-2-carbonyl]-methylamino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]-methylamino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]acetyl]-methylamino]-3-phenylpropanoyl]pyrrolidine-2-carboxylate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:225487

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