Name: Asn-Pro-Val-PABC-MMAE TFA
Rating: 5 (10 reviews)

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结构编辑

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HIT ID:HIT218849260
Cas No:2893871-67-3
常用名:Asn-Pro-Val-PABC-MMAE TFA
IUPAC:trifluoroacetic acid; {4-[(2S)-2-{[(2S)-1-[(2S)-2-amino-3-carbamoylpropanoyl]pyrrolidin-2-yl]formamido}-3-methylbutanamido]phenyl}methyl N-[(1S)-1-{[(1S)-1-{[(3R,4S,5S)-1-[(2S)-2-[(1S,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](methyl)carbamoyl}-2-methylpropyl]carbamoyl}-2-methylpropyl]-N-methylcarbamate
IUPAC:trifluoroacetic acid; {4-[(2S)-2-{[(2S)-1-[(2S)-2-amino-3-carbamoylpropanoyl]pyrrolidin-2-yl]formamido}-3-methylbutanamido]phenyl}methyl N-[(1S)-1-{[(1S)-1-{[(3R,4S,5S)-1-[(2S)-2-[(1S,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](methyl)carbamoyl}-2-methylpropyl]carbamoyl}-2-methylpropyl]-N-methylcarbamate
InChI key:YJEOYBSNSJPQHG-HTYVEGOESA-N

分子式:C63H97F3N10O15
分子量:1291.519
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:OC(=O)C(F)(F)F.[H][C@]1(CCCN1C(=O)C[C@@H](OC)[C@H]([C@@H](C)CC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C(=O)OCc1ccc(NC(=O)[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CC(N)=O)C(C)C)cc1)C(C)C)[C@@H](OC)[C@@H](C)C(=O)N[C@H](C)[C@@H](O)c1ccccc1
SMILES:OC(=O)C(F)(F)F.[H][C@]1(CCCN1C(=O)C[C@@H](OC)[C@H]([C@@H](C)CC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C(=O)OCc1ccc(NC(=O)[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CC(N)=O)C(C)C)cc1)C(C)C)[C@@H](OC)[C@@H](C)C(=O)N[C@H](C)[C@@H](O)c1ccccc1

Asn-Pro-Val-PABC-MMAE TFA (compound 8) 作为一种高效的 ADC 链接剂，主要用于抗体偶联活性分子 (ADC) 的制备[1]。

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