Name: Azaline
Rating: 5 (10 reviews)

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HIT ID:HIT214318126
Cas No:134457-26-4
常用名:Azaline
别名:Azaline A
IUPAC:(2S)-6-[(5-amino-4H-1,2,4-triazol-3-yl)amino]-N-[(1R)-5-[(5-amino-4H-1,2,4-triazol-3-yl)amino]-1-{[(1S)-1-{[(2S)-1-[(2S)-2-{[(1R)-1-carbamoylethyl]carbamoyl}pyrrolidin-1-yl]-1-oxo-6-[(propan-2-yl)amino]hexan-2-yl]carbamoyl}-3-methylbutyl]carbamoyl}pentyl]-2-[(2S)-2-[(2R)-2-[(2R)-3-(4-chlorophenyl)-2-[(2R)-2-acetamido-3-(naphthalen-2-yl)propanamido]propanamido]-3-(pyridin-3-yl)propanamido]-3-hydroxypropanamido]hexanamide
IUPAC:(2S)-6-[(5-amino-4H-1,2,4-triazol-3-yl)amino]-N-[(1R)-5-[(5-amino-4H-1,2,4-triazol-3-yl)amino]-1-{[(1S)-1-{[(2S)-1-[(2S)-2-{[(1R)-1-carbamoylethyl]carbamoyl}pyrrolidin-1-yl]-1-oxo-6-[(propan-2-yl)amino]hexan-2-yl]carbamoyl}-3-methylbutyl]carbamoyl}pentyl]-2-[(2S)-2-[(2R)-2-[(2R)-3-(4-chlorophenyl)-2-[(2R)-2-acetamido-3-(naphthalen-2-yl)propanamido]propanamido]-3-(pyridin-3-yl)propanamido]-3-hydroxypropanamido]hexanamide
InChI key:APYKABCXCKNQMG-PPTOZNKNSA-N

分子式:C74H106ClN23O12
分子量:1545.26
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC(C)C[C@H](NC(=O)[C@@H](CCCCNc1nnc(N)[nH]1)NC(=O)[C@H](CCCCNc1nnc(N)[nH]1)NC(=O)[C@H](CO)NC(=O)[C@@H](Cc1cccnc1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(C)=O)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O
SMILES:CC(C)C[C@H](NC(=O)[C@@H](CCCCNc1nnc(N)[nH]1)NC(=O)[C@H](CCCCNc1nnc(N)[nH]1)NC(=O)[C@H](CO)NC(=O)[C@@H](Cc1cccnc1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(C)=O)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O

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