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HIT218847993
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HIT218847993
  • HIT ID:HIT218847993
  • Cas No:60731-46-6
  • 常用名:Elcatonin
  • 别名:Carbocalcitonin
  • IUPAC:(4S)-4-{[(1S)-1-{[(1S)-1-{[(1S)-5-amino-1-{[(1S)-1-{[(1S)-1-{[(1S,2R)-1-{[(2S)-1-[(2S)-2-{[(1S)-4-carbamimidamido-1-{[(1S,2R)-1-{[(1S)-1-{[(1S)-1-[({[(1S)-1-[({[(2S,3R)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]carbamoyl}methyl)carbamoyl]ethyl]carbamoyl}methyl)carbamoyl]-2-methylpropyl]carbamoyl}-2-carboxyethyl]carbamoyl}-2-hydroxypropyl]carbamoyl}butyl]carbamoyl}pyrrolidin-1-yl]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoyl}-2-hydroxypropyl]carbamoyl}-3-carbamoylpropyl]carbamoyl}-3-methylbutyl]carbamoyl}pentyl]carbamoyl}-2-(1H-imidazol-5-yl)ethyl]carbamoyl}-3-methylbutyl]carbamoyl}-4-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-{2-[(2S)-2-[(2S)-2-{[(2S,5S,8S,11S,14S,17S)-5-(carbamoylmethyl)-14-[(1R)-1-hydroxyethyl]-2,11-bis(hydroxymethyl)-8-(2-methylpropyl)-3,6,9,12,15,23-hexaoxo-1,4,7,10,13,16-hexaazacyclotricosan-17-yl]formamido}-3-methylbutanamido]-4-methylpentanamido]acetamido}hexanamido]-4-methylpentanamido]-3-hydroxypropanamido]-4-carbamoylbutanamido]butanoic acid
    IUPAC:(4S)-4-{[(1S)-1-{[(1S)-1-{[(1S)-5-amino-1-{[(1S)-1-{[(1S)-1-{[(1S,2R)-1-{[(2S)-1-[(2S)-2-{[(1S)-4-carbamimidamido-1-{[(1S,2R)-1-{[(1S)-1-{[(1S)-1-[({[(1S)-1-[({[(2S,3R)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]carbamoyl}methyl)carbamoyl]ethyl]carbamoyl}methyl)carbamoyl]-2-methylpropyl]carbamoyl}-2-carboxyethyl]carbamoyl}-2-hydroxypropyl]carbamoyl}butyl]carbamoyl}pyrrolidin-1-yl]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoyl}-2-hydroxypropyl]carbamoyl}-3-carbamoylpropyl]carbamoyl}-3-methylbutyl]carbamoyl}pentyl]carbamoyl}-2-(1H-imidazol-5-yl)ethyl]carbamoyl}-3-methylbutyl]carbamoyl}-4-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-{2-[(2S)-2-[(2S)-2-{[(2S,5S,8S,11S,14S,17S)-5-(carbamoylmethyl)-14-[(1R)-1-hydroxyethyl]-2,11-bis(hydroxymethyl)-8-(2-methylpropyl)-3,6,9,12,15,23-hexaoxo-1,4,7,10,13,16-hexaazacyclotricosan-17-yl]formamido}-3-methylbutanamido]-4-methylpentanamido]acetamido}hexanamido]-4-methylpentanamido]-3-hydroxypropanamido]-4-carbamoylbutanamido]butanoic acid
  • InChI key:DDPFHDCZUJFNAT-PZPWKVFESA-N
  • 分子式:C148H244N42O47
  • 分子量:3363.827
  • 氢键供体数 (HBD):
  • 氢键受体数 (HBA):
  • LogP:
  • SMILES:[H][C@]1(NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)CCCCC[C@H](NC1=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N1CCC[C@H]1C(N)=O)[C@@H](C)O
    SMILES:[H][C@]1(NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)CCCCC[C@H](NC1=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N1CCC[C@H]1C(N)=O)[C@@H](C)O
  • Elcatonin (Carbocalcitonin), a synthetic analog of eel calcitonin, enhances bone mineral density, inhibits bone resorption, and exhibits a central analgesic effect [1].
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  • 供应商
    TargetMolSC
    规格
    货期
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    纯度
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