Name: BTL peptide
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT218851719
Cas No:1021461-47-1
常用名:BTL peptide
IUPAC:(4S)-4-[(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-4-carbamoyl-2-[(2S)-4-carbamoyl-2-[(2S)-2,6-diaminohexanamido]butanamido]butanamido]-4-methylpentanamido]propanamido]-3-hydroxybutanamido]-4-{[(1S)-1-{[(1S)-3-carboxy-1-{[(1S)-1-{[(1S)-1-({2-[(2S)-2-{[(1S,2S)-1-{[(1S)-1-carboxy-3-methylbutyl]carbamoyl}-2-methylbutyl]carbamoyl}pyrrolidin-1-yl]-2-oxoethyl}carbamoyl)ethyl]carbamoyl}-2-hydroxyethyl]carbamoyl}propyl]carbamoyl}ethyl]carbamoyl}butanoic acid
IUPAC:(4S)-4-[(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-4-carbamoyl-2-[(2S)-4-carbamoyl-2-[(2S)-2,6-diaminohexanamido]butanamido]butanamido]-4-methylpentanamido]propanamido]-3-hydroxybutanamido]-4-{[(1S)-1-{[(1S)-3-carboxy-1-{[(1S)-1-{[(1S)-1-({2-[(2S)-2-{[(1S,2S)-1-{[(1S)-1-carboxy-3-methylbutyl]carbamoyl}-2-methylbutyl]carbamoyl}pyrrolidin-1-yl]-2-oxoethyl}carbamoyl)ethyl]carbamoyl}-2-hydroxyethyl]carbamoyl}propyl]carbamoyl}ethyl]carbamoyl}butanoic acid
InChI key:IGWVXTNJERQOLE-ZXIJAYNSSA-N

分子式:C67H114N18O24
分子量:1555.751
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CCCCN)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(O)=O
SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CCCCN)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(O)=O

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