2-[(1R,4S,8R,10S,13S,16S,34R)-34-[(2S)-butan-2-yl]-13-[(2R,3R)-3,4-dihydroxybutan-2-yl]-8,22-dihydroxy-2,5,11,14,27,30,33,36,39-nonaoxo-27lambda4-thia-3,6,12,15,25,29,32,35,38-nonaazapentacyclo[14.12.11.0^{6,10}.0^{18,26}.0^{19,24}]nonatriaconta-18(26),19,21,23-tetraen-4-yl]acetamide | CAS 23109-05-9

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HIT ID:HIT212686853
Cas No:23109-05-9
常用名:2-[(1R,4S,8R,10S,13S,16S,34R)-34-[(2S)-butan-2-yl]-13-[(2R,3R)-3,4-dihydroxybutan-2-yl]-8,22-dihydroxy-2,5,11,14,27,30,33,36,39-nonaoxo-27lambda4-thia-3,6,12,15,25,29,32,35,38-nonaazapentacyclo[14.12.11.0^{6,10}.0^{18,26}.0^{19,24}]nonatriaconta-18(26),19,21,23-tetraen-4-yl]acetamide
常用名:2-[(1R,4S,8R,10S,13S,16S,34R)-34-[(2S)-butan-2-yl]-13-[(2R,3R)-3,4-dihydroxybutan-2-yl]-8,22-dihydroxy-2,5,11,14,27,30,33,36,39-nonaoxo-27lambda4-thia-3,6,12,15,25,29,32,35,38-nonaazapentacyclo[14.12.11.0^{6,10}.0^{18,26}.0^{19,24}]nonatriaconta-18(26),19,21,23-tetraen-4-yl]acetamide
IUPAC:2-[(1R,4S,8R,10S,13S,16S,34R)-34-[(2S)-butan-2-yl]-13-[(2R,3R)-3,4-dihydroxybutan-2-yl]-8,22-dihydroxy-2,5,11,14,27,30,33,36,39-nonaoxo-27lambda4-thia-3,6,12,15,25,29,32,35,38-nonaazapentacyclo[14.12.11.0^{6,10}.0^{18,26}.0^{19,24}]nonatriaconta-18(26),19,21,23-tetraen-4-yl]acetamide
IUPAC:2-[(1R,4S,8R,10S,13S,16S,34R)-34-[(2S)-butan-2-yl]-13-[(2R,3R)-3,4-dihydroxybutan-2-yl]-8,22-dihydroxy-2,5,11,14,27,30,33,36,39-nonaoxo-27lambda4-thia-3,6,12,15,25,29,32,35,38-nonaazapentacyclo[14.12.11.0^{6,10}.0^{18,26}.0^{19,24}]nonatriaconta-18(26),19,21,23-tetraen-4-yl]acetamide
InChI key:CIORWBWIBBPXCG-XYJGPTGDSA-N

分子式:C39H54N10O14S
分子量:918.98
氢键供体数 (HBD):13
氢键受体数 (HBA):14
LogP:-7.6612797
SMILES:[H][C@@]12C[C@@H](O)CN1C(=O)[C@]([H])(CC(N)=O)NC(=O)[C@]1([H])CS(=O)c3[nH]c4cc(O)ccc4c3C[C@]([H])(NC(=O)[C@@]([H])(NC2=O)[C@@H](C)[C@@H](O)CO)C(=O)NCC(=O)N[C@@]([H])([C@@H](C)CC)C(=O)NCC(=O)N1
SMILES:[H][C@@]12C[C@@H](O)CN1C(=O)[C@]([H])(CC(N)=O)NC(=O)[C@]1([H])CS(=O)c3[nH]c4cc(O)ccc4c3C[C@]([H])(NC(=O)[C@@]([H])(NC2=O)[C@@H](C)[C@@H](O)CO)C(=O)NCC(=O)N[C@@]([H])([C@@H](C)CC)C(=O)NCC(=O)N1

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