HIV Protease Substrate 1
HIT214323216
sdf文件结构编辑类似物检索
HIT ID: HIT214323216
Cas No: 223769-59-3
分子式: C92H133N27O23S
分子量: 2017.3
常用名: HIV Protease Substrate 1
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S,3S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-4-({2-[(5-sulfonaphthalen-1-yl)amino]ethyl}carbamoyl)butanamido]-3-hydroxypropanamido]-4-carbamoylbutanamido]-3-carbamoylpropanamido]-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]formamido}-3-methylpentanamido]-3-methylbutanamido]-4-carbamoylbutanamido]-6-[(4-{2-[4-(dimethylamino)phenyl]diazen-1-yl}phenyl)formamido]hexanamido]-5-carbamimidamidopentanoic acid
IUPAC: (2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S,3S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-4-({2-[(5-sulfonaphthalen-1-yl)amino]ethyl}carbamoyl)butanamido]-3-hydroxypropanamido]-4-carbamoylbutanamido]-3-carbamoylpropanamido]-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]formamido}-3-methylpentanamido]-3-methylbutanamido]-4-carbamoylbutanamido]-6-[(4-{2-[4-(dimethylamino)phenyl]diazen-1-yl}phenyl)formamido]hexanamido]-5-carbamimidamidopentanoic acid
SMILES: CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)NCCNc1cccc2c(cccc12)S(O)(=O)=O)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCNC(=O)c1ccc(cc1)N=Nc1ccc(cc1)N(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |w:118.122|
SMILES: CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)NCCNc1cccc2c(cccc12)S(O)(=O)=O)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCNC(=O)c1ccc(cc1)N=Nc1ccc(cc1)N(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |w:118.122|
InChI key: BYTQJXGDAWVWOK-CTAFNQJCSA-N
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