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

Preferred term

efrapeptin d  

Type

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

Broader concept

charge

  • +1

formula

  • C81H139N18O16

inchi

  • InChI=1S/C81H138N18O16/c1-22-81(21,72(113)85-53(43-49(2)3)48-96-39-30-38-95-37-29-34-62(95)96)92-64(105)55(45-51(6)7)86-60(102)46-84-68(109)75(9,10)89-66(107)57-32-25-28-42-99(57)74(115)80(19,20)94-70(111)77(13,14)88-61(103)47-83-59(101)35-36-82-63(104)54(44-50(4)5)87-69(110)76(11,12)93-71(112)78(15,16)90-67(108)58-33-24-27-41-98(58)73(114)79(17,18)91-65(106)56-31-23-26-40-97(56)52(8)100/h49-51,53-58H,22-48H2,1-21H3,(H12-,82,83,84,85,86,87,88,89,90,91,92,93,94,101,102,103,104,105,106,107,108,109,110,111,112,113)/p+1/t53-,54-,55-,56-,57-,58-,81-/m0/s1

inchikey

  • HNZKXCFCVMPHGN-BYXRWWRZSA-O

mass

  • 1621.112

monoisotopicmass

  • 1620.06110

smiles

  • O=C(N1[C@H](C(=O)NC(C(=O)NCC(=O)N[C@H](C(=O)N[C@](C(=O)N[C@H](CN2C3=[N+](CCC2)CCC3)CC(C)C)(CC)C)CC(C)C)(C)C)CCCC1)C(NC(=O)C(NC(=O)CNC(=O)CCNC(=O)[C@@H](NC(=O)C(NC(=O)C(NC(=O)[C@H]4N(C(=O)C(NC(=O)[C@H]5N(C(=O)C)CCCC5)(C)C)CCCC4)(C)C)(C)C)CC(C)C)(C)C)(C)C

subset

  • 2_STAR

synonym EXACT

  • (2S)-1-acetyl-N-[1-[(2S)-2-[[1-[[1-[[(2S)-1-[[3-[[2-[[1-[[1-[(2S)-2-[[1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-(2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidin-5-ium-1-yl)-4-methylpentan-2-yl]amino]-2-methyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-2-methyl-1-oxopropan-2-yl]carbamoyl]piperidin-1-yl]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-oxopropyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]carbamoyl]piperidin-1-yl]-2-methyl-1-oxopropan-2-yl]piperidine-2-carboxamide

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:222632

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