Name: Peptide VF13N
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT212718942
Cas No:142649-36-3
常用名:Peptide VF13N
别名:Epitope VF13N
IUPAC:(4S)-4-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-methylbutanamido]-3-methylbutanamido]-4-carboxybutanamido]-3-carboxypropanamido]-4-[({[(1R)-1-{[(1S,2R)-1-{[(1S)-2-carbamoyl-1-{[(1S)-1-{[(1S)-1-[({[(1S)-1-carboxy-2-phenylethyl]carbamoyl}methyl)carbamoyl]-2-hydroxyethyl]carbamoyl}-3-methylbutyl]carbamoyl}ethyl]carbamoyl}-2-hydroxypropyl]carbamoyl}-2-sulfanylethyl]carbamoyl}methyl)carbamoyl]butanoic acid
IUPAC:(4S)-4-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-methylbutanamido]-3-methylbutanamido]-4-carboxybutanamido]-3-carboxypropanamido]-4-[({[(1R)-1-{[(1S,2R)-1-{[(1S)-2-carbamoyl-1-{[(1S)-1-{[(1S)-1-[({[(1S)-1-carboxy-2-phenylethyl]carbamoyl}methyl)carbamoyl]-2-hydroxyethyl]carbamoyl}-3-methylbutyl]carbamoyl}ethyl]carbamoyl}-2-hydroxypropyl]carbamoyl}-2-sulfanylethyl]carbamoyl}methyl)carbamoyl]butanoic acid
InChI key:XZNQUNZTYGDDLZ-QIKHTSBFSA-N

分子式:C57H88N14O23S
分子量:1369.47
氢键供体数 (HBD):21
氢键受体数 (HBA):24
LogP:-10.467431
SMILES:CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)C(C)C)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(O)=O
SMILES:CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)C(C)C)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(O)=O

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