Name: PMX 205 acetate(514814-49-4 free base)
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT213840421
Cas No:
常用名:PMX 205 acetate(514814-49-4 free base)
常用名:PMX 205 acetate(514814-49-4 free base)
IUPAC:N-[9-(3-carbamimidamidopropyl)-3-(cyclohexylmethyl)-6-[(3H-indol-3-yl)methyl]-1,4,7,10,16-pentaoxo-icosahydropyrrolo[1,2-a]1,4,7,10,13-pentaazacyclooctadecan-15-yl]-3-phenylpropanamide; acetic acid
IUPAC:N-[9-(3-carbamimidamidopropyl)-3-(cyclohexylmethyl)-6-[(3H-indol-3-yl)methyl]-1,4,7,10,16-pentaoxo-icosahydropyrrolo[1,2-a]1,4,7,10,13-pentaazacyclooctadecan-15-yl]-3-phenylpropanamide; acetic acid
InChI key:JZNPQGVZXRXLDO-UHFFFAOYSA-N

分子式:C47H66N10O8
分子量:899.107
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC(O)=O.NC(=N)NCCCC1NC(=O)C(CC2C=Nc3ccccc23)NC(=O)C(CC2CCCCC2)NC(=O)C2CCCN2C(=O)C(CCCNC1=O)NC(=O)CCc1ccccc1 |c:17|
SMILES:CC(O)=O.NC(=N)NCCCC1NC(=O)C(CC2C=Nc3ccccc23)NC(=O)C(CC2CCCCC2)NC(=O)C2CCCN2C(=O)C(CCCNC1=O)NC(=O)CCc1ccccc1 |c:17|

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