DM21-L-G
HIT219251200
sdf文件结构编辑类似物检索
HIT ID: HIT219251200
Cas No: 2243689-87-2
分子式: C60H87ClN8O18S2
分子量: 1307.96
常用名: DM21-L-G
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 4-{3-[(3-{[(1S)-1-{[(1R)-1-{[(1S)-1-({[(5-{[(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}pentyl)sulfanyl]methyl}carbamoyl)ethyl]carbamoyl}ethyl]carbamoyl}ethyl]carbamoyl}propyl)sulfanyl]-2,5-dioxopyrrolidin-1-yl}butanoic acid
IUPAC: 4-{3-[(3-{[(1S)-1-{[(1R)-1-{[(1S)-1-({[(5-{[(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}pentyl)sulfanyl]methyl}carbamoyl)ethyl]carbamoyl}ethyl]carbamoyl}ethyl]carbamoyl}propyl)sulfanyl]-2,5-dioxopyrrolidin-1-yl}butanoic acid
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)CCCCCSCNC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)CCCSC1CC(=O)N(CCCC(O)=O)C1=O
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)CCCCCSCNC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)CCCSC1CC(=O)N(CCCC(O)=O)C1=O
InChI key: WTQFFNBCMMGNDV-QUEFJZTRSA-N
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