Name: κM-Conotoxin RIIIK
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT218851785
Cas No:740843-55-4
常用名:κM-Conotoxin RIIIK
别名:κM-RIIIK
IUPAC:(2S,3R)-2-{[(1R,5R,7S,14R,16S,19S,22R,25S,28S,31S,35R,37S,40R,45R,48S,51S,54S,57S,60S,63S,70R,75R)-75-[(2S)-2-{[(2S,4R)-1-[(2S)-2-amino-4-methylpentanoyl]-4-hydroxypyrrolidin-2-yl]formamido}-3-hydroxypropanamido]-25-(4-aminobutyl)-28,60-bis(3-carbamimidamidopropyl)-31,54-bis(carbamoylmethyl)-5,14,35-trihydroxy-48-(hydroxymethyl)-19-methyl-51,57,63-tris(2-methylpropyl)-2,8,11,17,20,23,26,29,32,38,46,49,52,55,58,61,64,72,74-nonadecaoxo-10-(propan-2-yl)-42,43,67,68,77,78-hexathia-3,9,12,18,21,24,27,30,33,39,47,50,53,56,59,62,65,71,73-nonadecaazahexacyclo[38.25.7.7^{22,45}.0^{3,7}.0^{12,16}.0^{33,37}]nonaheptacontan-70-yl]formamido}-3-hydroxybutanamide
IUPAC:(2S,3R)-2-{[(1R,5R,7S,14R,16S,19S,22R,25S,28S,31S,35R,37S,40R,45R,48S,51S,54S,57S,60S,63S,70R,75R)-75-[(2S)-2-{[(2S,4R)-1-[(2S)-2-amino-4-methylpentanoyl]-4-hydroxypyrrolidin-2-yl]formamido}-3-hydroxypropanamido]-25-(4-aminobutyl)-28,60-bis(3-carbamimidamidopropyl)-31,54-bis(carbamoylmethyl)-5,14,35-trihydroxy-48-(hydroxymethyl)-19-methyl-51,57,63-tris(2-methylpropyl)-2,8,11,17,20,23,26,29,32,38,46,49,52,55,58,61,64,72,74-nonadecaoxo-10-(propan-2-yl)-42,43,67,68,77,78-hexathia-3,9,12,18,21,24,27,30,33,39,47,50,53,56,59,62,65,71,73-nonadecaazahexacyclo[38.25.7.7^{22,45}.0^{3,7}.0^{12,16}.0^{33,37}]nonaheptacontan-70-yl]formamido}-3-hydroxybutanamide
InChI key:ZWYHOYRHYYLKNJ-BBZCKTBTSA-N

分子式:C106H178N34O33S6
分子量:2649.16
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]12C[C@@H](O)CN1C(=O)C(NC(=O)[C@]1([H])C[C@@H](O)CN1C(=O)[C@]1([H])CSSC[C@H](NC(=O)[C@]3([H])CSSC[C@]([H])(NC(=O)[C@H](CSSC[C@]([H])(NC(=O)[C@H](C)NC2=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(=O)N2C[C@H](O)C[C@@]2([H])C(=O)N3)NC(=O)[C@H](CO)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N1)C(=O)N[C@@H]([C@@H](C)O)C(N)=O)C(C)C
SMILES:[H][C@@]12C[C@@H](O)CN1C(=O)C(NC(=O)[C@]1([H])C[C@@H](O)CN1C(=O)[C@]1([H])CSSC[C@H](NC(=O)[C@]3([H])CSSC[C@]([H])(NC(=O)[C@H](CSSC[C@]([H])(NC(=O)[C@H](C)NC2=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(=O)N2C[C@H](O)C[C@@]2([H])C(=O)N3)NC(=O)[C@H](CO)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N1)C(=O)N[C@@H]([C@@H](C)O)C(N)=O)C(C)C

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