flg22Pst
HIT219200978
sdf文件结构编辑类似物检索
HIT ID: HIT219200978
Cas No: 2268675-54-1
分子式: C94H165N29O33
分子量: 2229.524
常用名: flg22Pst
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (3S)-3-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S,3S)-2-[(2S)-6-amino-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-5-carbamimidamidopentanamido]-4-methylpentanamido]-3-hydroxypropanamido]-3-hydroxypropanamido]acetamido}-4-methylpentanamido]hexanamido]-3-methylpentanamido]-3-carbamoylpropanamido]-3-hydroxypropanamido]propanamido]hexanamido]-3-carboxypropanamido]-3-{[(1S)-1-{[(1S)-1-[({[(1S)-1-{[(1S)-3-carbamoyl-1-{[(1S,2S)-1-{[(1S)-1-carboxyethyl]carbamoyl}-2-methylbutyl]carbamoyl}propyl]carbamoyl}-3-methylbutyl]carbamoyl}methyl)carbamoyl]ethyl]carbamoyl}ethyl]carbamoyl}propanoic acid
IUPAC: (3S)-3-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S,3S)-2-[(2S)-6-amino-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-5-carbamimidamidopentanamido]-4-methylpentanamido]-3-hydroxypropanamido]-3-hydroxypropanamido]acetamido}-4-methylpentanamido]hexanamido]-3-methylpentanamido]-3-carbamoylpropanamido]-3-hydroxypropanamido]propanamido]hexanamido]-3-carboxypropanamido]-3-{[(1S)-1-{[(1S)-1-[({[(1S)-1-{[(1S)-3-carbamoyl-1-{[(1S,2S)-1-{[(1S)-1-carboxyethyl]carbamoyl}-2-methylbutyl]carbamoyl}propyl]carbamoyl}-3-methylbutyl]carbamoyl}methyl)carbamoyl]ethyl]carbamoyl}ethyl]carbamoyl}propanoic acid
SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](C)C(O)=O
SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](C)C(O)=O
InChI key: BRHMLTAKXHIIKK-KRRWFZPWSA-N
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