Name: Aspartocin D
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT214321799
Cas No:1562369-96-3
常用名:Aspartocin D
IUPAC:(3S)-3-{[(3S,4R,13S,16R,22S,28S,31S,34R)-16-[(1R)-1-aminoethyl]-31-[(1S)-1-carboxyethyl]-22,28-bis(carboxymethyl)-4-methyl-2,6,12,15,18,21,24,27,30,33-decaoxo-13-(propan-2-yl)-1,5,11,14,17,20,23,26,29,32-decaazatricyclo[32.4.0.0^{7,11}]octatriacontan-3-yl]carbamoyl}-3-[(3Z)-9-methyldec-3-enamido]propanoic acid
IUPAC:(3S)-3-{[(3S,4R,13S,16R,22S,28S,31S,34R)-16-[(1R)-1-aminoethyl]-31-[(1S)-1-carboxyethyl]-22,28-bis(carboxymethyl)-4-methyl-2,6,12,15,18,21,24,27,30,33-decaoxo-13-(propan-2-yl)-1,5,11,14,17,20,23,26,29,32-decaazatricyclo[32.4.0.0^{7,11}]octatriacontan-3-yl]carbamoyl}-3-[(3Z)-9-methyldec-3-enamido]propanoic acid
InChI key:RWKODFJGLUVNKT-SVFQWNNYSA-N

分子式:C56H87N13O20
分子量:1262.383
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@]12CCCCN1C(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)C\C=C/CCCCC(C)C)[C@@H](C)NC(=O)C1CCCN1C(=O)[C@@H](NC(=O)[C@]([H])(NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@@]([H])(NC2=O)[C@H](C)C(O)=O)[C@@H](C)N)C(C)C
SMILES:[H][C@]12CCCCN1C(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)C\C=C/CCCCC(C)C)[C@@H](C)NC(=O)C1CCCN1C(=O)[C@@H](NC(=O)[C@]([H])(NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@@]([H])(NC2=O)[C@H](C)C(O)=O)[C@@H](C)N)C(C)C

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