Name: Bombinin H2
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

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HIT ID:HIT218851752
Cas No:152846-09-8
常用名:Bombinin H2
IUPAC:(2S)-6-amino-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-(2-{2-[(2S)-2-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-{[(2S)-1-{2-[(2S,3S)-2-[(2S,3S)-2-amino-3-methylpentanamido]-3-methylpentanamido]acetyl}pyrrolidin-2-yl]formamido}-3-methylbutanamido]-4-methylpentanamido]acetamido}-4-methylpentanamido]-3-methylbutanamido]acetamido}-3-hydroxypropanamido]propanamido]-4-methylpentanamido]acetamido}acetamido)-4-methylpentanamido]-4-methylpentanamido]hexanamido]-N-[(1S,2S)-1-carbamoyl-2-methylbutyl]hexanamide
IUPAC:(2S)-6-amino-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-(2-{2-[(2S)-2-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-{[(2S)-1-{2-[(2S,3S)-2-[(2S,3S)-2-amino-3-methylpentanamido]-3-methylpentanamido]acetyl}pyrrolidin-2-yl]formamido}-3-methylbutanamido]-4-methylpentanamido]acetamido}-4-methylpentanamido]-3-methylbutanamido]acetamido}-3-hydroxypropanamido]propanamido]-4-methylpentanamido]acetamido}acetamido)-4-methylpentanamido]-4-methylpentanamido]hexanamido]-N-[(1S,2S)-1-carbamoyl-2-methylbutyl]hexanamide
InChI key:SQFPIKBKAMXQLN-LTZQJBPESA-N

分子式:C91H165N23O21
分子量:1917.461
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC[C@H](C)[C@H](N)C(=O)N[C@@H]([C@@H](C)CC)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)CC)C(N)=O
SMILES:CC[C@H](C)[C@H](N)C(=O)N[C@@H]([C@@H](C)CC)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)CC)C(N)=O

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