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

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结构编辑

类似物检索

HIT ID:HIT218849254
Cas No:2893871-68-4
常用名:diSPhMC-Asn-Pro-Val-PABC-MMAE
IUPAC:{4-[(2S)-2-{[(2S)-1-[(2S)-3-carbamoyl-2-{6-[2,5-dioxo-3,4-bis(phenylsulfanyl)-2,5-dihydro-1H-pyrrol-1-yl]hexanamido}propanoyl]pyrrolidin-2-yl]formamido}-3-methylbutanamido]phenyl}methyl N-[(1S)-1-{[(1S)-1-{[(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](methyl)carbamoyl}-2-methylpropyl]carbamoyl}-2-methylpropyl]-N-methylcarbamate
IUPAC:{4-[(2S)-2-{[(2S)-1-[(2S)-3-carbamoyl-2-{6-[2,5-dioxo-3,4-bis(phenylsulfanyl)-2,5-dihydro-1H-pyrrol-1-yl]hexanamido}propanoyl]pyrrolidin-2-yl]formamido}-3-methylbutanamido]phenyl}methyl N-[(1S)-1-{[(1S)-1-{[(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](methyl)carbamoyl}-2-methylpropyl]carbamoyl}-2-methylpropyl]-N-methylcarbamate
InChI key:MADBCUVZKCPOGY-LQYUVZCHSA-N

分子式:C83H115N11O16S2
分子量:1587.01
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[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](CC(N)=O)NC(=O)CCCCCN2C(=O)C(Sc3ccccc3)=C(Sc3ccccc3)C2=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:[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](CC(N)=O)NC(=O)CCCCCN2C(=O)C(Sc3ccccc3)=C(Sc3ccccc3)C2=O)C(C)C)cc1)C(C)C)[C@H](OC)[C@@H](C)C(=O)N[C@H](C)[C@@H](O)c1ccccc1

Compound 9 (diSPhMC-Asn-Pro-Val-PABC-MMAE) 作为一种高效的 ADC 链接子，用于合成抗体偶联活性分子 (ADC)[1]。

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