Name: Adrenomedullin (16-31), human
Rating: 5 (10 reviews)

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结构编辑

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HIT ID:HIT218851898
Cas No:318480-38-5
常用名:Adrenomedullin (16-31), human
IUPAC:(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-{[(4R,7S,13S,16S,19R)-19-amino-13-benzyl-16-(3-carbamimidamidopropyl)-7-[(1R)-1-hydroxyethyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl]formamido}-3-hydroxybutanamido]-3-methylbutanamido]-4-carbamoylbutanamido]hexanamido]-4-methylpentanamido]propanamido]-3-(1H-imidazol-5-yl)propanamido]-N-[(1S,2S)-1-{[(1S)-1-carbamoyl-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-methylbutyl]pentanediamide
IUPAC:(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-{[(4R,7S,13S,16S,19R)-19-amino-13-benzyl-16-(3-carbamimidamidopropyl)-7-[(1R)-1-hydroxyethyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl]formamido}-3-hydroxybutanamido]-3-methylbutanamido]-4-carbamoylbutanamido]hexanamido]-4-methylpentanamido]propanamido]-3-(1H-imidazol-5-yl)propanamido]-N-[(1S,2S)-1-{[(1S)-1-carbamoyl-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-methylbutyl]pentanediamide
InChI key:UYSITIBGEJGZGX-FXMFISEGSA-N

分子式:C82H129N25O21S2
分子量:1865.21
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@]1(NC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CSSC[C@H](NC1=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O
SMILES:[H][C@]1(NC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CSSC[C@H](NC1=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O

Adrenomedullin (16-31), human, is an amino acid residues 16-31 fragment of human adrenomedullin (hADM).

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