Name: MCC-DM1
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT214322237
Cas No:1100692-14-5
常用名:MCC-DM1
别名:MCC-DM1
IUPAC:(1S,2R,3S,5S,6S,16Z,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1^{10,14}.0^{3,5}]hexacosa-10,12,14(26),16,18-pentaen-6-yl (2S)-2-[3-({1-[(4-carbamoylcyclohexyl)methyl]-2,5-dioxopyrrolidin-3-yl}sulfanyl)-N-methylpropanamido]propanoate
IUPAC:(1S,2R,3S,5S,6S,16Z,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1^{10,14}.0^{3,5}]hexacosa-10,12,14(26),16,18-pentaen-6-yl (2S)-2-[3-({1-[(4-carbamoylcyclohexyl)methyl]-2,5-dioxopyrrolidin-3-yl}sulfanyl)-N-methylpropanamido]propanoate
InChI key:WPWQMVXPTHKASL-QLVGRWAYSA-N

分子式:C47H64ClN5O13S
分子量:974.56
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]12O[C@@]1(C)[C@H](CC(=O)N(C)c1cc(C\C(C)=C/C=C/[C@@H](OC)[C@@]3(O)C[C@]([H])(OC(=O)N3)[C@H]2C)cc(OC)c1Cl)OC(=O)[C@H](C)N(C)C(=O)CCSC1CC(=O)N(CC2CCC(CC2)C(N)=O)C1=O |c:17,t:19|
SMILES:[H][C@@]12O[C@@]1(C)[C@H](CC(=O)N(C)c1cc(C\C(C)=C/C=C/[C@@H](OC)[C@@]3(O)C[C@]([H])(OC(=O)N3)[C@H]2C)cc(OC)c1Cl)OC(=O)[C@H](C)N(C)C(=O)CCSC1CC(=O)N(CC2CCC(CC2)C(N)=O)C1=O |c:17,t:19|

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