LY2510924 acetate(1088715-84-7 free base)
HIT213840359
sdf文件结构编辑类似物检索
HIT ID: HIT213840359
Cas No: T15805L
分子式: C64H91N13O13
分子量: 1250.51
常用名: LY2510924 acetate(1088715-84-7 free base)
常用名: LY2510924 acetate(1088715-84-7 free base)
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (2S)-2-{[(2S,5S,20R)-2-benzyl-11-[3-(carbamoylamino)propyl]-5-[(4-hydroxyphenyl)methyl]-14-[(naphthalen-2-yl)methyl]-3,6,9,12,15,18,23-heptaoxo-8-{4-[(propan-2-yl)amino]butyl}-1,4,7,10,13,16,19-heptaazacyclotricosan-20-yl]formamido}-6-[(propan-2-yl)amino]hexanamide; acetic acid
IUPAC: (2S)-2-{[(2S,5S,20R)-2-benzyl-11-[3-(carbamoylamino)propyl]-5-[(4-hydroxyphenyl)methyl]-14-[(naphthalen-2-yl)methyl]-3,6,9,12,15,18,23-heptaoxo-8-{4-[(propan-2-yl)amino]butyl}-1,4,7,10,13,16,19-heptaazacyclotricosan-20-yl]formamido}-6-[(propan-2-yl)amino]hexanamide; acetic acid
SMILES: CC(O)=O.CC(C)NCCCC[C@H](NC(=O)[C@H]1CCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC(CCCCNC(C)C)C(=O)NC(CCCNC(N)=O)C(=O)NC(Cc2ccc3ccccc3c2)C(=O)NCC(=O)N1)C(N)=O
SMILES: CC(O)=O.CC(C)NCCCC[C@H](NC(=O)[C@H]1CCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC(CCCCNC(C)C)C(=O)NC(CCCNC(N)=O)C(=O)NC(Cc2ccc3ccccc3c2)C(=O)NCC(=O)N1)C(N)=O
InChI key: AAACBXIDOSEBJG-PZJVPENDSA-N
共显示1个结果
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