Name: DX600
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214320556
Cas No:478188-26-0
常用名:DX600
IUPAC:(4S)-4-{[(2S)-1-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S,3R)-2-{[(3S,6S,9S,12S,21S,24R,29R,32S,35S,38S)-32-(4-aminobutyl)-9-(3-carbamimidamidopropyl)-24-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-3-carboxy-2-(2-acetamidoacetamido)propanamido]-3-(4-hydroxyphenyl)propanamido]-3-hydroxypropanamido]-3-(1H-imidazol-5-yl)propanamido]-21-(hydroxymethyl)-3,6-bis[(4-hydroxyphenyl)methyl]-35,38-bis[(1H-indol-3-yl)methyl]-12-(2-methylpropyl)-2,5,8,11,14,20,23,31,34,37,40-undecaoxo-26,27-dithia-1,4,7,10,13,19,22,30,33,36,39-undecaazatricyclo[39.3.0.0^{15,19}]tetratetracontan-29-yl]formamido}-3-hydroxybutanamido]-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]formamido}-3-carboxypropanoyl]pyrrolidin-2-yl]formamido}-4-{[({[(carbamoylmethyl)carbamoyl]methyl}carbamoyl)methyl]carbamoyl}butanoic acid
IUPAC:(4S)-4-{[(2S)-1-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S,3R)-2-{[(3S,6S,9S,12S,21S,24R,29R,32S,35S,38S)-32-(4-aminobutyl)-9-(3-carbamimidamidopropyl)-24-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-3-carboxy-2-(2-acetamidoacetamido)propanamido]-3-(4-hydroxyphenyl)propanamido]-3-hydroxypropanamido]-3-(1H-imidazol-5-yl)propanamido]-21-(hydroxymethyl)-3,6-bis[(4-hydroxyphenyl)methyl]-35,38-bis[(1H-indol-3-yl)methyl]-12-(2-methylpropyl)-2,5,8,11,14,20,23,31,34,37,40-undecaoxo-26,27-dithia-1,4,7,10,13,19,22,30,33,36,39-undecaazatricyclo[39.3.0.0^{15,19}]tetratetracontan-29-yl]formamido}-3-hydroxybutanamido]-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]formamido}-3-carboxypropanoyl]pyrrolidin-2-yl]formamido}-4-{[({[(carbamoylmethyl)carbamoyl]methyl}carbamoyl)methyl]carbamoyl}butanoic acid
InChI key:IROLANHAOWNLMV-ZMMIXLMNSA-N

分子式:C141H185N35O40S2
分子量:3074.36
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC(C)C[C@@H]1NC(=O)C2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)C2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(N)=N)NC1=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](CC(O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(=O)NCC(=O)NCC(N)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(C)=O
SMILES:CC(C)C[C@@H]1NC(=O)C2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)C2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(N)=N)NC1=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](CC(O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(=O)NCC(=O)NCC(N)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(C)=O

DX600 是一种angiotensin-converting enzyme 2 (ACE2)的特异抑制剂，不会与ACE 发生交叉反应。

市场产品/服务共显示1个结果

供应商
TargetMolSC
规格
货期
纯度
-
¥ 7,646.00
1

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