Properdistatin
HIT217584918
sdf文件结构编辑类似物检索
HIT ID: HIT217584918
Cas No: T81389
分子式: C89H149N33O27S2
分子量: 2177.5
常用名: Properdistatin
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (2S)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S,3R)-2-{2-[(2S)-6-amino-2-[(2S)-2-[(2R)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-[(2R)-2-{[(2S)-1-[(2S)-2-[(2S)-2-{[(2S)-1-(2-aminoacetyl)pyrrolidin-2-yl]formamido}-3-(1H-indol-3-yl)propanamido]-4-carboxybutanoyl]pyrrolidin-2-yl]formamido}-3-sulfanylpropanamido]-3-hydroxypropanamido]-3-methylbutanamido]-3-hydroxybutanamido]-3-sulfanylpropanamido]-3-hydroxypropanamido]hexanamido]acetamido}-3-hydroxybutanamido]-5-carbamimidamidopentanamido]-3-hydroxybutanamido]-5-carbamimidamidopentanamido]-5-carbamimidamidopentanamido]-5-carbamimidamidopentanoic acid
IUPAC: (2S)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S,3R)-2-{2-[(2S)-6-amino-2-[(2S)-2-[(2R)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-[(2R)-2-{[(2S)-1-[(2S)-2-[(2S)-2-{[(2S)-1-(2-aminoacetyl)pyrrolidin-2-yl]formamido}-3-(1H-indol-3-yl)propanamido]-4-carboxybutanoyl]pyrrolidin-2-yl]formamido}-3-sulfanylpropanamido]-3-hydroxypropanamido]-3-methylbutanamido]-3-hydroxybutanamido]-3-sulfanylpropanamido]-3-hydroxypropanamido]hexanamido]acetamido}-3-hydroxybutanamido]-5-carbamimidamidopentanamido]-3-hydroxybutanamido]-5-carbamimidamidopentanamido]-5-carbamimidamidopentanamido]-5-carbamimidamidopentanoic acid
SMILES: CC(C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
SMILES: CC(C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
InChI key: BFDYBJWURCHKCV-YZBQNZNFSA-N
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