Name: 5-FAM-GpYLPQTV-NH2
Rating: 5 (10 reviews)

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结构编辑

类似物检索

HIT ID:HIT218847268
Cas No:769166-98-5
常用名:5-FAM-GpYLPQTV-NH2
IUPAC:{4-[(2S)-2-{[(2S)-1-[(2S)-2-{[(1S)-3-carbamoyl-1-{[(1S,2R)-1-{[(1S)-1-carbamoyl-2-methylpropyl]carbamoyl}-2-hydroxypropyl]carbamoyl}propyl]carbamoyl}pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]carbamoyl}-2-[2-({3',6'-dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthen]-5-yl}formamido)acetamido]ethyl]phenoxy}phosphonic acid
IUPAC:{4-[(2S)-2-{[(2S)-1-[(2S)-2-{[(1S)-3-carbamoyl-1-{[(1S,2R)-1-{[(1S)-1-carbamoyl-2-methylpropyl]carbamoyl}-2-hydroxypropyl]carbamoyl}propyl]carbamoyl}pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]carbamoyl}-2-[2-({3',6'-dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthen]-5-yl}formamido)acetamido]ethyl]phenoxy}phosphonic acid
InChI key:NCHYUBBWFHDOTJ-LOWQJOHXSA-N

分子式:C57H68N9O19P
分子量:1214.189
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)CNC(=O)c1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc12)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C(C)C)C(N)=O
SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)CNC(=O)c1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc12)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C(C)C)C(N)=O

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