Name: NFAT Inhibitor
Rating: 5 (10 reviews)

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HIT ID:HIT212035366
Cas No:249537-73-3
常用名:NFAT Inhibitor
别名:VIVIT peptide
IUPAC:(2S)-2-[(2S)-2-[(2S)-2-{[(2S)-1-{2-[(2S,3R)-2-[(2S,3S)-2-[(2S)-2-[(2S,3S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-{[(2S)-1-{2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]propanamido]acetyl}pyrrolidin-2-yl]formamido}-3-(1H-imidazol-5-yl)propanoyl]pyrrolidin-2-yl]formamido}-3-methylbutanamido]-3-methylpentanamido]-3-methylbutanamido]-3-methylpentanamido]-3-hydroxybutanamido]acetyl}pyrrolidin-2-yl]formamido}-3-(1H-imidazol-5-yl)propanamido]-4-carboxybutanamido]pentanedioic acid
IUPAC:(2S)-2-[(2S)-2-[(2S)-2-{[(2S)-1-{2-[(2S,3R)-2-[(2S,3S)-2-[(2S)-2-[(2S,3S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-{[(2S)-1-{2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]propanamido]acetyl}pyrrolidin-2-yl]formamido}-3-(1H-imidazol-5-yl)propanoyl]pyrrolidin-2-yl]formamido}-3-methylbutanamido]-3-methylpentanamido]-3-methylbutanamido]-3-methylpentanamido]-3-hydroxybutanamido]acetyl}pyrrolidin-2-yl]formamido}-3-(1H-imidazol-5-yl)propanamido]-4-carboxybutanamido]pentanedioic acid
InChI key:QPMHUXBSHGAVGD-MCDIZDEASA-N

分子式:C75H118N20O22S
分子量:1683.95
氢键供体数 (HBD):19
氢键受体数 (HBA):25
LogP:-12.397087
SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)CCSC)C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(O)=O
SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)CCSC)C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(O)=O

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