TPP-1
HIT218850918
sdf文件结构编辑类似物检索
HIT ID: HIT218850918
Cas No: 2426685-25-6
分子式: C107H150N34O32S2
分子量: 2488.7
常用名: TPP-1
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (2S)-6-amino-2-[(2S)-2-(2-{2-[(2S)-2-[(2S)-2-(2-{[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-{2-[(2S)-2-amino-3-hydroxypropanamido]acetamido}-4-carbamoylbutanamido]-3-(4-hydroxyphenyl)propanamido]propanamido]-3-hydroxypropanamido]-3-(4-hydroxyphenyl)propanamido]-3-(1H-imidazol-5-yl)propanamido]-3-sulfanylpropanamido]-3-(1H-indol-3-yl)propanamido]-3-sulfanylpropanamido]-3-(1H-indol-3-yl)propanamido]-5-carbamimidamidopentanamido]-3-carboxypropanoyl]pyrrolidin-2-yl]formamido}acetamido)-5-carbamimidamidopentanamido]-3-hydroxypropanamido]acetamido}acetamido)-3-hydroxypropanamido]hexanoic acid
IUPAC: (2S)-6-amino-2-[(2S)-2-(2-{2-[(2S)-2-[(2S)-2-(2-{[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-{2-[(2S)-2-amino-3-hydroxypropanamido]acetamido}-4-carbamoylbutanamido]-3-(4-hydroxyphenyl)propanamido]propanamido]-3-hydroxypropanamido]-3-(4-hydroxyphenyl)propanamido]-3-(1H-imidazol-5-yl)propanamido]-3-sulfanylpropanamido]-3-(1H-indol-3-yl)propanamido]-3-sulfanylpropanamido]-3-(1H-indol-3-yl)propanamido]-5-carbamimidamidopentanamido]-3-carboxypropanoyl]pyrrolidin-2-yl]formamido}acetamido)-5-carbamimidamidopentanamido]-3-hydroxypropanamido]acetamido}acetamido)-3-hydroxypropanamido]hexanoic acid
SMILES: C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@@H](N)CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(O)=O)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)NCC(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(O)=O
SMILES: C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@@H](N)CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(O)=O)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)NCC(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(O)=O
InChI key: PZRZKAPXEZHQNM-LKDNPKTDSA-N
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SC
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