BAD (103-127) (human) acetate
HIT214432428
sdf文件结构编辑类似物检索
HIT ID: HIT214432428
Cas No: T40412L
分子式: C139H216N42O41S
分子量: 3163.57
常用名: BAD (103-127) (human) acetate
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (2S)-6-amino-2-[(2R)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-4-methylpentanamido]-3-(1H-indol-3-yl)propanamido]propanamido]propanamido]-4-carbamoylbutanamido]-5-carbamimidamidopentanamido]-3-(4-hydroxyphenyl)propanamido]acetamido}-5-carbamimidamidopentanamido]-4-carboxybutanamido]-4-methylpentanamido]-5-carbamimidamidopentanamido]-5-carbamimidamidopentanamido]-4-(methylsulfanyl)butanamido]-3-hydroxypropanamido]-3-carboxypropanamido]-4-carboxybutanamido]-3-phenylpropanamido]-3-methylbutanamido]-3-carboxypropanamido]-3-hydroxypropanamido]-3-phenylpropanamido]hexanamido]hexanoic acid; acetic acid
IUPAC: (2S)-6-amino-2-[(2R)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-4-methylpentanamido]-3-(1H-indol-3-yl)propanamido]propanamido]propanamido]-4-carbamoylbutanamido]-5-carbamimidamidopentanamido]-3-(4-hydroxyphenyl)propanamido]acetamido}-5-carbamimidamidopentanamido]-4-carboxybutanamido]-4-methylpentanamido]-5-carbamimidamidopentanamido]-5-carbamimidamidopentanamido]-4-(methylsulfanyl)butanamido]-3-hydroxypropanamido]-3-carboxypropanamido]-4-carboxybutanamido]-3-phenylpropanamido]-3-methylbutanamido]-3-carboxypropanamido]-3-hydroxypropanamido]-3-phenylpropanamido]hexanamido]hexanoic acid; acetic acid
SMILES: CC(O)=O.CSCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)N[C@@H](CCCCN)C(O)=O
SMILES: CC(O)=O.CSCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)N[C@@H](CCCCN)C(O)=O
InChI key: MUMZLIQMGLDFSP-BRUREDSHSA-N
共显示1个结果
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