PLP (180-199)
HIT217584926
sdf文件结构编辑类似物检索
HIT ID: HIT217584926
Cas No: T81438
分子式: C92H145N23O30S
分子量: 2085.36
常用名: PLP (180-199)
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (2S)-2-[(2S)-2-{2-[(2S,3S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-6-amino-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-[(2R)-2-[(2S,3R)-2-[(2S,3R)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-hydroxybutanamido]-3-hydroxybutanamido]-3-sulfanylpropanamido]-4-carbamoylbutanamido]-3-hydroxypropanamido]-3-methylpentanamido]propanamido]-3-phenylpropanoyl]pyrrolidin-2-yl]formamido}-3-hydroxypropanamido]hexanamido]-3-hydroxybutanamido]-3-hydroxypropanamido]propanamido]-3-hydroxypropanamido]-3-methylpentanamido]acetamido}-3-hydroxypropanamido]-4-methylpentanoic acid
IUPAC: (2S)-2-[(2S)-2-{2-[(2S,3S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-6-amino-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-[(2R)-2-[(2S,3R)-2-[(2S,3R)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-hydroxybutanamido]-3-hydroxybutanamido]-3-sulfanylpropanamido]-4-carbamoylbutanamido]-3-hydroxypropanamido]-3-methylpentanamido]propanamido]-3-phenylpropanoyl]pyrrolidin-2-yl]formamido}-3-hydroxypropanamido]hexanamido]-3-hydroxybutanamido]-3-hydroxypropanamido]propanamido]-3-hydroxypropanamido]-3-methylpentanamido]acetamido}-3-hydroxypropanamido]-4-methylpentanoic acid
SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)[C@@H](C)O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(O)=O
SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)[C@@H](C)O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(O)=O
InChI key: HRTWAFBGWSMYIY-UCNXJJGYSA-N
共显示1个结果
供应商规格单价货期纯度操作
TargetMol
SC
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