Name: Human PD-L1 inhibitor III
Rating: 5 (10 reviews)

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HIT ID:HIT214323091
Cas No:2135542-84-4
常用名:Human PD-L1 inhibitor III
别名:Human PD-L1 inhibitor III
IUPAC:(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S,3S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-4-carboxybutanamido]hexanamido]-3-carboxypropanamido]-3-(4-hydroxyphenyl)propanamido]-5-carbamimidamidopentanamido]-3-(1H-imidazol-5-yl)propanamido]acetamido}-3-carbamoylpropanamido]-3-methylpentanamido]-5-carbamimidamidopentanamido]-4-(methylsulfanyl)butanamido]hexanamido]-4-methylpentanamido]propanamido]-3-(4-hydroxyphenyl)propanamido]-3-carboxypropanamido]-4-methylpentanoic acid
IUPAC:(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S,3S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-4-carboxybutanamido]hexanamido]-3-carboxypropanamido]-3-(4-hydroxyphenyl)propanamido]-5-carbamimidamidopentanamido]-3-(1H-imidazol-5-yl)propanamido]acetamido}-3-carbamoylpropanamido]-3-methylpentanamido]-5-carbamimidamidopentanamido]-4-(methylsulfanyl)butanamido]hexanamido]-4-methylpentanamido]propanamido]-3-(4-hydroxyphenyl)propanamido]-3-carboxypropanamido]-4-methylpentanoic acid
InChI key:MSYPFFUZCWOTRZ-ZLSLFABNSA-N

分子式:C97H155N29O29S
分子量:2223.54
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(O)=O
SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(O)=O

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