Name: Levitide acetate
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214432422
Cas No:
常用名:Levitide acetate
别名:Levitide acetate(114281-19-5 Free base)
IUPAC:(2S)-2-[(2S)-6-amino-2-[(2S,3S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-3-hydroxy-2-[(2S,3R)-3-hydroxy-2-[(2S)-2-[(2S,3R)-3-hydroxy-2-{2-[(2S,3S)-3-methyl-2-[(2S)-4-(methylsulfanyl)-2-(2-{[(2S)-5-oxopyrrolidin-2-yl]formamido}acetamido)butanamido]pentanamido]acetamido}butanamido]-4-methylpentanamido]butanamido]propanamido]hexanamido]-5-carbamimidamidopentanamido]-3-methylpentanamido]hexanamido]pentanediamide; acetic acid
IUPAC:(2S)-2-[(2S)-6-amino-2-[(2S,3S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-3-hydroxy-2-[(2S,3R)-3-hydroxy-2-[(2S)-2-[(2S,3R)-3-hydroxy-2-{2-[(2S,3S)-3-methyl-2-[(2S)-4-(methylsulfanyl)-2-(2-{[(2S)-5-oxopyrrolidin-2-yl]formamido}acetamido)butanamido]pentanamido]acetamido}butanamido]-4-methylpentanamido]butanamido]propanamido]hexanamido]-5-carbamimidamidopentanamido]-3-methylpentanamido]hexanamido]pentanediamide; acetic acid
InChI key:HASYOJNLQHIIRN-CMASJSCVSA-N

分子式:C68H123N21O21S
分子量:1602.92
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC(O)=O.CC[C@H](C)[C@H](NC(=O)[C@H](CCSC)NC(=O)CNC(=O)[C@@H]1CCC(=O)N1)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(N)=O
SMILES:CC(O)=O.CC[C@H](C)[C@H](NC(=O)[C@H](CCSC)NC(=O)CNC(=O)[C@@H]1CCC(=O)N1)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(N)=O

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