Name: MMAE-d8
Rating: 5 (10 reviews)

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HIT ID:HIT212666996
Cas No:2070009-72-0
常用名:MMAE-d8
IUPAC:(2S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-2-{[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]carbamoyl}-1-methoxy-2-methylethyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-3-(2H3)methyl-N-methyl-2-[(2S)-3-methyl-2-(methylamino)butanamido](2H5)butanamide
IUPAC:(2S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-2-{[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]carbamoyl}-1-methoxy-2-methylethyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-3-(2H3)methyl-N-methyl-2-[(2S)-3-methyl-2-(methylamino)butanamido](2H5)butanamide
InChI key:DASWEROEPLKSEI-CMHCZSPYSA-N

分子式:C39H67N5O7
分子量:726.042
氢键供体数 (HBD):4
氢键受体数 (HBA):8
LogP:3.5133712
SMILES:[2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])[C@]([2H])(NC(=O)[C@@H](NC)C(C)C)C(=O)N(C)[C@@H]([C@@H](C)CC)[C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)N[C@H](C)[C@@H](O)c1ccccc1)OC
SMILES:[2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])[C@]([2H])(NC(=O)[C@@H](NC)C(C)C)C(=O)N(C)[C@@H]([C@@H](C)CC)[C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)N[C@H](C)[C@@H](O)c1ccccc1)OC

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