EPI-X4
HIT218849774
sdf文件结构编辑类似物检索
HIT ID: HIT218849774
Cas No:
分子式: C84H144N22O23
分子量: 1830.207
常用名: EPI-X4
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (2S)-2-[(2S,3R)-2-{[(2S)-1-[(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-6-amino-2-[(2S)-6-amino-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-methylpentanamido]-3-methylbutanamido]-5-carbamimidamidopentanamido]-3-(4-hydroxyphenyl)propanamido]-3-hydroxybutanamido]hexanamido]hexanamido]-3-methylbutanoyl]pyrrolidin-2-yl]formamido}-4-carbamoylbutanamido]-3-methylbutanamido]-3-hydroxypropanamido]-3-hydroxybutanoyl]pyrrolidin-2-yl]formamido}-3-hydroxybutanamido]-4-methylpentanoic acid
IUPAC: (2S)-2-[(2S,3R)-2-{[(2S)-1-[(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-6-amino-2-[(2S)-6-amino-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-methylpentanamido]-3-methylbutanamido]-5-carbamimidamidopentanamido]-3-(4-hydroxyphenyl)propanamido]-3-hydroxybutanamido]hexanamido]hexanamido]-3-methylbutanoyl]pyrrolidin-2-yl]formamido}-4-carbamoylbutanamido]-3-methylbutanamido]-3-hydroxypropanamido]-3-hydroxybutanoyl]pyrrolidin-2-yl]formamido}-3-hydroxybutanamido]-4-methylpentanoic acid
SMILES: CC(C)C[C@H](N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(O)=O
SMILES: CC(C)C[C@H](N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(O)=O
InChI key: IWBGWMGGKZBJJF-QQHYOGHPSA-N
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