α-Synuclein (61-95) (human)
HIT218851617
sdf文件结构编辑类似物检索
HIT ID: HIT218851617
Cas No: 154040-19-4
分子式: C141H235N39O49
分子量: 3260.655
常用名: α-Synuclein (61-95) (human)
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (4S)-4-[(2S)-2-[(2S,3R)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-{2-[(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-(2-{2-[(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-4-carbamoylbutanamido]-3-methylbutanamido]-3-hydroxybutanamido]-3-carbamoylpropanamido]-3-methylbutanamido]acetamido}acetamido)propanamido]-3-methylbutanamido]-3-methylbutanamido]-3-hydroxybutanamido]acetamido}-3-methylbutanamido]-3-hydroxybutanamido]propanamido]-3-methylbutanamido]propanamido]-4-carbamoylbutanamido]hexanamido]-3-hydroxybutanamido]-3-methylbutanamido]-4-[({[(1S)-1-[({[(1S)-1-{[(1S,2S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S,2R)-1-[({[(1S)-1-{[(1S)-1-carboxy-2-methylpropyl]carbamoyl}-2-phenylethyl]carbamoyl}methyl)carbamoyl]-2-hydroxypropyl]carbamoyl}ethyl]carbamoyl}ethyl]carbamoyl}ethyl]carbamoyl}-2-methylbutyl]carbamoyl}-2-hydroxyethyl]carbamoyl}methyl)carbamoyl]ethyl]carbamoyl}methyl)carbamoyl]butanoic acid
IUPAC: (4S)-4-[(2S)-2-[(2S,3R)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-{2-[(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-(2-{2-[(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-4-carbamoylbutanamido]-3-methylbutanamido]-3-hydroxybutanamido]-3-carbamoylpropanamido]-3-methylbutanamido]acetamido}acetamido)propanamido]-3-methylbutanamido]-3-methylbutanamido]-3-hydroxybutanamido]acetamido}-3-methylbutanamido]-3-hydroxybutanamido]propanamido]-3-methylbutanamido]propanamido]-4-carbamoylbutanamido]hexanamido]-3-hydroxybutanamido]-3-methylbutanamido]-4-[({[(1S)-1-[({[(1S)-1-{[(1S,2S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S,2R)-1-[({[(1S)-1-{[(1S)-1-carboxy-2-methylpropyl]carbamoyl}-2-phenylethyl]carbamoyl}methyl)carbamoyl]-2-hydroxypropyl]carbamoyl}ethyl]carbamoyl}ethyl]carbamoyl}ethyl]carbamoyl}-2-methylbutyl]carbamoyl}-2-hydroxyethyl]carbamoyl}methyl)carbamoyl]ethyl]carbamoyl}methyl)carbamoyl]butanoic acid
SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CCC(O)=O)C(C)C)[C@@H](C)O)C(C)C)C(C)C)C(C)C)[C@@H](C)O)C(C)C)[C@@H](C)O)C(C)C)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(O)=O
SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CCC(O)=O)C(C)C)[C@@H](C)O)C(C)C)C(C)C)C(C)C)[C@@H](C)O)C(C)C)[C@@H](C)O)C(C)C)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(O)=O
InChI key: GXGKRPSFRUFLPR-PKXGUHEISA-N
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