Bombinin H2
HIT218851752
sdf文件结构编辑类似物检索
HIT ID: HIT218851752
Cas No: 152846-09-8
分子式: C91H165N23O21
分子量: 1917.461
常用名: Bombinin H2
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
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
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
InChI key: SQFPIKBKAMXQLN-LTZQJBPESA-N
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