SPP-DM1
HIT214314841
sdf文件结构编辑类似物检索
HIT ID: HIT214314841
Cas No: 452072-20-7
分子式: C44H59ClN4O14S2
分子量: 967.54
常用名: SPP-DM1
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 2,5-dioxopyrrolidin-1-yl 4-[(2-{[(2S)-1-{[(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]oxy}-1-oxopropan-2-yl](methyl)carbamoyl}ethyl)disulfanyl]pentanoate
IUPAC: 2,5-dioxopyrrolidin-1-yl 4-[(2-{[(2S)-1-{[(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]oxy}-1-oxopropan-2-yl](methyl)carbamoyl}ethyl)disulfanyl]pentanoate
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)CCSSC(C)CCC(=O)ON1C(=O)CCC1=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)CCSSC(C)CCC(=O)ON1C(=O)CCC1=O |c:17,t:19|
InChI key: ZMOVORWFEGTIJA-CNZVJAQKSA-N
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