(2S)-2-[(2S,3S)-2-[(2S)-4-carboxy-2-[(2S)-4-carboxy-2-[(2S)-2-acetamido-3-[4-(phosphonooxy)phenyl]propanamido]butanamido]butanamido]-3-methylpentanamido]pentanedioic acid, Ac-Tyr(PO3H2)-Glu-Glu-Ile-Glu-OH
HIT218639669
sdf文件结构编辑类似物检索
HIT ID: HIT218639669
Cas No: 159439-02-8
分子式: C32H46N5O17P
分子量: 803.712
常用名: (2S)-2-[(2S,3S)-2-[(2S)-4-carboxy-2-[(2S)-4-carboxy-2-[(2S)-2-acetamido-3-[4-(phosphonooxy)phenyl]propanamido]butanamido]butanamido]-3-methylpentanamido]pentanedioic acid, Ac-Tyr(PO3H2)-Glu-Glu-Ile-Glu-OH
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (2S)-2-[(2S,3S)-2-[(2S)-4-carboxy-2-[(2S)-4-carboxy-2-[(2S)-2-acetamido-3-[4-(phosphonooxy)phenyl]propanamido]butanamido]butanamido]-3-methylpentanamido]pentanedioic acid
SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(O)=O
InChI key: QQEKQSBIEKQXQS-PSCZMIBCSA-N
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