SD-2301 | CAS 3054116-24-1

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HIT ID:HIT219619257
Cas No:3054116-24-1
常用名:SD-2301
IUPAC:(2-{[(5S,8S,10aR)-8-{[(1S)-3-carbamoyl-1-({[4-(ethanesulfonyl)phenyl]methyl}carbamoyl)propyl]carbamoyl}-3-(5-{1-[(2S)-1-[(2S,4R)-4-hydroxy-2-{[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl}pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-1H-1,2,3-triazol-4-yl}pentanoyl)-6-oxo-decahydropyrrolo[1,2-a][1,5]diazocin-5-yl]carbamoyl}-1H-indole-5-carbonyl)phosphonic acid
IUPAC:(2-{[(5S,8S,10aR)-8-{[(1S)-3-carbamoyl-1-({[4-(ethanesulfonyl)phenyl]methyl}carbamoyl)propyl]carbamoyl}-3-(5-{1-[(2S)-1-[(2S,4R)-4-hydroxy-2-{[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl}pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-1H-1,2,3-triazol-4-yl}pentanoyl)-6-oxo-decahydropyrrolo[1,2-a][1,5]diazocin-5-yl]carbamoyl}-1H-indole-5-carbonyl)phosphonic acid
InChI key:InChIKey=NDCOUHYOBDYRRK-IHBGDBLYSA-N

分子式:C64H80N13O15PS2
分子量:1366.51
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@]12CC[C@H](N1C(=O)[C@H](CN(CC2)C(=O)CCCCc1cn(nn1)[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H](C)c1ccc(cc1)-c1scnc1C)C(C)(C)C)NC(=O)c1cc2cc(ccc2[nH]1)C(=O)P(O)(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)NCc1ccc(cc1)S(=O)(=O)CC
SMILES:[H][C@]12CC[C@H](N1C(=O)[C@H](CN(CC2)C(=O)CCCCc1cn(nn1)[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H](C)c1ccc(cc1)-c1scnc1C)C(C)(C)C)NC(=O)c1cc2cc(ccc2[nH]1)C(=O)P(O)(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)NCc1ccc(cc1)S(=O)(=O)CC

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