Name: AVLX-125
Rating: 5 (10 reviews)

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HIT ID:HIT218847502
Cas No:1786434-31-8
常用名:AVLX-125
别名:UCCB01-125
IUPAC:(4S)-4-{[(1S,2R)-1-{[(1S)-2-carboxy-1-{[(1S)-1-carboxy-2-methylpropyl]carbamoyl}ethyl]carbamoyl}-2-hydroxypropyl]carbamoyl}-4-[(2S,3S)-2-(1-{[(1S,2S)-1-{[(1S)-3-carboxy-1-{[(1S,2R)-1-{[(1S)-2-carboxy-1-{[(1S)-1-carboxy-2-methylpropyl]carbamoyl}ethyl]carbamoyl}-2-hydroxypropyl]carbamoyl}propyl]carbamoyl}-2-methylbutyl]carbamoyl}-3,6,9,12,15-pentaoxaoctadecan-18-amido)-3-methylpentanamido]butanoic acid
IUPAC:(4S)-4-{[(1S,2R)-1-{[(1S)-2-carboxy-1-{[(1S)-1-carboxy-2-methylpropyl]carbamoyl}ethyl]carbamoyl}-2-hydroxypropyl]carbamoyl}-4-[(2S,3S)-2-(1-{[(1S,2S)-1-{[(1S)-3-carboxy-1-{[(1S,2R)-1-{[(1S)-2-carboxy-1-{[(1S)-1-carboxy-2-methylpropyl]carbamoyl}ethyl]carbamoyl}-2-hydroxypropyl]carbamoyl}propyl]carbamoyl}-2-methylbutyl]carbamoyl}-3,6,9,12,15-pentaoxaoctadecan-18-amido)-3-methylpentanamido]butanoic acid
InChI key:YKWWWHGLWROAKO-KWRPVYMMSA-N

分子式:C62H104N10O29
分子量:1453.555
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC[C@H](C)[C@H](NC(=O)CCOCCOCCOCCOCCOCCC(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(O)=O
SMILES:CC[C@H](C)[C@H](NC(=O)CCOCCOCCOCCOCCOCCC(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(O)=O

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