Rapastinel acetate
HIT214432464
sdf文件结构编辑类似物检索
HIT ID: HIT214432464
Cas No: 491872-39-0
分子式: C20H35N5O8
分子量: 473.527
常用名: Rapastinel acetate
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (2S,3R)-2-{[(2S)-1-[(2S)-1-[(2S,3R)-2-amino-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]pyrrolidin-2-yl]formamido}-3-hydroxybutanamide; acetic acid
IUPAC: (2S,3R)-2-{[(2S)-1-[(2S)-1-[(2S,3R)-2-amino-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]pyrrolidin-2-yl]formamido}-3-hydroxybutanamide; acetic acid
SMILES: CC(O)=O.C[C@@H](O)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(N)=O
SMILES: CC(O)=O.C[C@@H](O)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(N)=O
InChI key: MNEQLJKNUQMKNP-GDLIIDCZSA-N
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