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

Preferred term

flesusid b  

Type

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

Broader concept

charge

  • 0

formula

  • C53H94N18O16

inchi

  • InChI=1S/C53H94N18O16/c1-24(2)20-33(67-46(80)32(16-17-36(55)73)64-42(76)28(9)63-50(84)40(26(5)6)71-49(83)39(25(3)4)61-23-72)47(81)68-34(21-37(56)74)48(82)66-30(14-11-12-18-54)45(79)65-31(15-13-19-60-53(58)59)44(78)62-29(10)43(77)70-41(27(7)8)51(85)69-35(52(86)87)22-38(57)75/h23-35,39-41H,11-22,54H2,1-10H3,(H2,55,73)(H2,56,74)(H2,57,75)(H,61,72)(H,62,78)(H,63,84)(H,64,76)(H,65,79)(H,66,82)(H,67,80)(H,68,81)(H,69,85)(H,70,77)(H,71,83)(H,86,87)(H4,58,59,60)/t28-,29+,30+,31-,32+,33+,34-,35+,39-,40-,41-/m1/s1

inchikey

  • QFGDXNUCNQQQKX-CGOOOKLZSA-N

mass

  • 1239.445

monoisotopicmass

  • 1238.70952

smiles

  • O=C(O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@H](NC=O)C(C)C)C(C)C)C)CCC(=O)N)CC(C)C)CC(=O)N)CCCCN)CCCN=C(N)N)C)C(C)C)CC(=O)N

subset

  • 2_STAR

synonym EXACT

  • (2S)-4-amino-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-6-amino-2-[[(2R)-4-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-ormamido-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]-4-oxobutanoyl]amino]hexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]propanoyl]amino]-3-methylbutanoyl]amino]-4-oxobutanoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:226513

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