Name: Actinomycin X2
Rating: 5 (10 reviews)

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HIT ID:HIT214322866
Cas No:18865-48-0
常用名:Actinomycin X2
别名:放线菌素X2；放线菌素V, Actinomycin V
IUPAC:N1-[(6S,9R,10S,18aS)-2,5,9-trimethyl-1,4,7,11,14,17-hexaoxo-6,13-bis(propan-2-yl)-hexadecahydro-1H-pyrrolo[2,1-i]1-oxa-4,7,10,13-tetraazacyclohexadecan-10-yl]-N9-[(6S,9R,10S,18aS)-2,5,9-trimethyl-1,4,7,11,14-pentaoxo-6,13-bis(propan-2-yl)-hexadecahydro-1H-pyrrolo[2,1-i]1-oxa-4,7,10,13-tetraazacyclohexadecan-10-yl]-2-amino-4,6-dimethyl-3-oxo-3H-phenoxazine-1,9-dicarboxamide
IUPAC:N1-[(6S,9R,10S,18aS)-2,5,9-trimethyl-1,4,7,11,14,17-hexaoxo-6,13-bis(propan-2-yl)-hexadecahydro-1H-pyrrolo[2,1-i]1-oxa-4,7,10,13-tetraazacyclohexadecan-10-yl]-N9-[(6S,9R,10S,18aS)-2,5,9-trimethyl-1,4,7,11,14-pentaoxo-6,13-bis(propan-2-yl)-hexadecahydro-1H-pyrrolo[2,1-i]1-oxa-4,7,10,13-tetraazacyclohexadecan-10-yl]-2-amino-4,6-dimethyl-3-oxo-3H-phenoxazine-1,9-dicarboxamide
InChI key:GQZJMUMSSGCVFS-IIODIMJZSA-N

分子式:C62H84N12O17
分子量:1269.421
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]12CCCN1C(=O)C(NC(=O)[C@@H](NC(=O)c1ccc(C)c3oc4c(C)c(=O)c(N)c(C(=O)N[C@H]5[C@@H](C)OC(=O)[C@H](C(C)C)N(C)C(=O)CN(C)C(=O)[C@]6([H])CC(=O)CN6C(=O)C(NC5=O)C(C)C)c4nc13)[C@@H](C)OC(=O)[C@H](C(C)C)N(C)C(=O)CN(C)C2=O)C(C)C |@:90,@@:66|
SMILES:[H][C@@]12CCCN1C(=O)C(NC(=O)[C@@H](NC(=O)c1ccc(C)c3oc4c(C)c(=O)c(N)c(C(=O)N[C@H]5[C@@H](C)OC(=O)[C@H](C(C)C)N(C)C(=O)CN(C)C(=O)[C@]6([H])CC(=O)CN6C(=O)C(NC5=O)C(C)C)c4nc13)[C@@H](C)OC(=O)[C@H](C(C)C)N(C)C(=O)CN(C)C2=O)C(C)C |@:90,@@:66|

Actinomycin X2 (Actinomycin V) is a compound synthesized by various species of Streptomyces. It displays potent inhibition against methicillin-resistant Staphylococcus aureus (MRSA), with a minimum inhibitory concentration (MIC) of 0.25 μg/mL. Actinomycin X2 possesses potential applications in the treatment of both cancer and bacterial infections.

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