Candidalysin
HIT218849789
sdf文件结构编辑类似物检索
HIT ID: HIT218849789
Cas No:
分子式: C153H266N38O38S2
分子量: 3310.16
常用名: Candidalysin
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (2S)-6-amino-2-[(2S)-2-{2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-[(2S,3S)-2-[(2S,3S)-2-[(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S,3S)-2-[(2S)-2-{2-[(2S)-2-[(2S,3S)-2-{2-[(2S)-2-[(2S,3S)-2-[(2S,3S)-2-{2-[(2S,3S)-2-[(2S,3S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-methylpentanamido]-3-methylpentanamido]acetamido}-3-methylpentanamido]-3-methylpentanamido]-4-(methylsulfanyl)butanamido]acetamido}-3-methylpentanamido]-4-methylpentanamido]acetamido}-3-carbamoylpropanamido]-3-methylpentanoyl]pyrrolidin-2-yl]formamido}-4-carbamoylbutanamido]-3-methylbutanamido]-3-methylpentanamido]-4-carbamoylbutanamido]-3-methylpentanamido]-3-methylpentanamido]-4-(methylsulfanyl)butanamido]-3-hydroxypropanamido]-3-methylpentanamido]-3-methylbutanamido]hexanamido]propanamido]-3-phenylpropanamido]hexanamido]acetamido}-3-carbamoylpropanamido]hexanoic acid
IUPAC: (2S)-6-amino-2-[(2S)-2-{2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-[(2S,3S)-2-[(2S,3S)-2-[(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S,3S)-2-[(2S)-2-{2-[(2S)-2-[(2S,3S)-2-{2-[(2S)-2-[(2S,3S)-2-[(2S,3S)-2-{2-[(2S,3S)-2-[(2S,3S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-methylpentanamido]-3-methylpentanamido]acetamido}-3-methylpentanamido]-3-methylpentanamido]-4-(methylsulfanyl)butanamido]acetamido}-3-methylpentanamido]-4-methylpentanamido]acetamido}-3-carbamoylpropanamido]-3-methylpentanoyl]pyrrolidin-2-yl]formamido}-4-carbamoylbutanamido]-3-methylbutanamido]-3-methylpentanamido]-4-carbamoylbutanamido]-3-methylpentanamido]-3-methylpentanamido]-4-(methylsulfanyl)butanamido]-3-hydroxypropanamido]-3-methylpentanamido]-3-methylbutanamido]hexanamido]propanamido]-3-phenylpropanamido]hexanamido]acetamido}-3-carbamoylpropanamido]hexanoic acid
SMILES: CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CCSC)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CO)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(O)=O
SMILES: CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CCSC)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CO)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(O)=O
InChI key: NGXRTWSYNSFXJC-JFBDVKPHSA-N
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