Cathepsin D and E FRET Substrate acetate
HIT214432523
sdf文件结构编辑类似物检索
HIT ID: HIT214432523
Cas No: T37504L
分子式: C86H124N22O21
分子量: 1802.071
常用名: Cathepsin D and E FRET Substrate acetate
常用名: Cathepsin D and E FRET Substrate acetate
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S,3S)-2-{[(2S)-1-[(2S)-6-amino-2-{2-[(7-methoxy-2-oxo-2H-chromen-4-yl)formamido]acetamido}hexanoyl]pyrrolidin-2-yl]formamido}-3-methylpentanamido]-4-methylpentanamido]-3-phenylpropanamido]-3-phenylpropanamido]-5-carbamimidamidopentanamido]-4-methylpentanamido]-N-[(1R)-4-carbamimidamido-1-carbamoylbutyl]-6-[(2,4-dinitrophenyl)amino]hexanamide; acetic acid
IUPAC: (2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S,3S)-2-{[(2S)-1-[(2S)-6-amino-2-{2-[(7-methoxy-2-oxo-2H-chromen-4-yl)formamido]acetamido}hexanoyl]pyrrolidin-2-yl]formamido}-3-methylpentanamido]-4-methylpentanamido]-3-phenylpropanamido]-3-phenylpropanamido]-5-carbamimidamidopentanamido]-4-methylpentanamido]-N-[(1R)-4-carbamimidamido-1-carbamoylbutyl]-6-[(2,4-dinitrophenyl)amino]hexanamide; acetic acid
SMILES: CC(O)=O.CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)CNC(=O)c1cc(=O)oc2cc(OC)ccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCNc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)C(=O)N[C@H](CCCNC(N)=N)C(N)=O
SMILES: CC(O)=O.CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)CNC(=O)c1cc(=O)oc2cc(OC)ccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCNc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)C(=O)N[C@H](CCCNC(N)=N)C(N)=O
InChI key: JJLQDALOHFPDQU-YUPCDROESA-N
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