Maytansinoid DM4
HIT214315338
sdf文件结构编辑类似物检索
HIT ID: HIT214315338
Cas No: 799840-96-3
分子式: C39H56ClN3O10S
分子量: 794.4
常用名: Maytansinoid DM4
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (1S,3S,5S,6S,16Z,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,2,5,9,16-pentamethyl-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-(N,4-dimethyl-4-sulfanylpentanamido)propanoate
IUPAC: (1S,3S,5S,6S,16Z,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,2,5,9,16-pentamethyl-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-(N,4-dimethyl-4-sulfanylpentanamido)propanoate
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)C2(C)C)cc(OC)c1Cl)OC(=O)[C@H](C)N(C)C(=O)CCC(C)(C)S |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)C2(C)C)cc(OC)c1Cl)OC(=O)[C@H](C)N(C)C(=O)CCC(C)(C)S |c:17,t:19|
InChI key: SVVGCFZPFZGWRG-SSJKZCEESA-N
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