Acetyl-cyclosporin A aldehyde
HIT218847318
sdf文件结构编辑类似物检索
HIT ID: HIT218847318
Cas No: 121584-52-9
分子式: C62H109N11O14
分子量: 1232.617
常用名: Acetyl-cyclosporin A aldehyde
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (1R,2R)-1-[(2R,5S,11S,17S,20S,23R,26S,29S)-5-ethyl-1,7,10,16,20,23,25,28,31-nonamethyl-11,17,26,29-tetrakis(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-14,32-bis(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontan-2-yl]-2-methyl-4-oxobutyl acetate
IUPAC: (1R,2R)-1-[(2R,5S,11S,17S,20S,23R,26S,29S)-5-ethyl-1,7,10,16,20,23,25,28,31-nonamethyl-11,17,26,29-tetrakis(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-14,32-bis(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontan-2-yl]-2-methyl-4-oxobutyl acetate
SMILES: [H][C@@]1([C@H](OC(C)=O)[C@H](C)CC=O)N(C)C(=O)C(C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)C(NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C
SMILES: [H][C@@]1([C@H](OC(C)=O)[C@H](C)CC=O)N(C)C(=O)C(C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)C(NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C
InChI key: HPSRJUOXPOJSMJ-OLSDPJTISA-N
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