MAGE-A3 (195-203)
HIT218851891
sdf文件结构编辑类似物检索
HIT ID: HIT218851891
Cas No: 171066-85-6
分子式: C45H82N10O10S
分子量: 955.27
常用名: MAGE-A3 (195-203)
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (2S,3S)-2-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-6-amino-2-{[(2S)-1-[(2S)-2-[(2S,3S)-2-amino-3-methylpentanamido]-4-(methylsulfanyl)butanoyl]pyrrolidin-2-yl]formamido}hexanamido]propanamido]acetamido}-4-methylpentanamido]-4-methylpentanamido]-3-methylpentanoic acid
IUPAC: (2S,3S)-2-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-6-amino-2-{[(2S)-1-[(2S)-2-[(2S,3S)-2-amino-3-methylpentanamido]-4-(methylsulfanyl)butanoyl]pyrrolidin-2-yl]formamido}hexanamido]propanamido]acetamido}-4-methylpentanamido]-4-methylpentanamido]-3-methylpentanoic acid
SMILES: CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCSC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(O)=O
SMILES: CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCSC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(O)=O
InChI key: OEJFMRDFTZRTQP-BXIWJQILSA-N
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