Name: Mp-polymer ester
Rating: 5 (10 reviews)

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结构编辑

类似物检索

HIT ID:HIT212668032
Cas No:
常用名:Mp-polymer ester
IUPAC:2-amino-3-{[1-(2-{[2-(2-{2-[(2-{3-[11-({[(2-carboxyethyl)carbamoyl]oxy}methyl)-5-[3-(2-{[(2-{[(2S)-1-{3-[(2S)-2-[(2R)-2-[(R)-[(2R)-1-[(3R,4S,5S)-4-[(2S)-2-[(2S)-2-(dimethylamino)-3-methylbutanamido]-N,3-dimethylbutanamido]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl](methoxy)methyl]propanamido]-3-phenylpropanamido]propoxy}-1-oxopropan-2-yl]carbamoyl}ethyl)carbamoyl]oxy}-1-methoxyethoxy)-4-hydroxybutoxy]-7,13,17,19,25-pentakis(hydroxymethyl)-23-{[({2-[(2-{3-[2-(2-{3-[3-(methylsulfanyl)-2,5-dioxopyrrolidin-1-yl]propanamido}ethoxy)ethoxy]propanamido}ethyl)carbamoyl]ethyl}carbamoyl)oxy]methyl}-2-oxo-3,6,10,12,16,18,22,24-octaoxa-1-azaheptacosan-1-yl]propanamido}ethyl)carbamoyl]ethoxy}ethoxy)ethyl]carbamoyl}ethyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}propanoic acid
IUPAC:2-amino-3-{[1-(2-{[2-(2-{2-[(2-{3-[11-({[(2-carboxyethyl)carbamoyl]oxy}methyl)-5-[3-(2-{[(2-{[(2S)-1-{3-[(2S)-2-[(2R)-2-[(R)-[(2R)-1-[(3R,4S,5S)-4-[(2S)-2-[(2S)-2-(dimethylamino)-3-methylbutanamido]-N,3-dimethylbutanamido]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl](methoxy)methyl]propanamido]-3-phenylpropanamido]propoxy}-1-oxopropan-2-yl]carbamoyl}ethyl)carbamoyl]oxy}-1-methoxyethoxy)-4-hydroxybutoxy]-7,13,17,19,25-pentakis(hydroxymethyl)-23-{[({2-[(2-{3-[2-(2-{3-[3-(methylsulfanyl)-2,5-dioxopyrrolidin-1-yl]propanamido}ethoxy)ethoxy]propanamido}ethyl)carbamoyl]ethyl}carbamoyl)oxy]methyl}-2-oxo-3,6,10,12,16,18,22,24-octaoxa-1-azaheptacosan-1-yl]propanamido}ethyl)carbamoyl]ethoxy}ethoxy)ethyl]carbamoyl}ethyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}propanoic acid
InChI key:VNZXWFQWJSXDDI-SGJIKJFBSA-N

分子式:C129H220N20O52S2
分子量:2947.39
氢键供体数 (HBD):23
氢键受体数 (HBA):49
LogP:-12.601146
SMILES:CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@@H]1[C@H](OC)[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCCOC(=O)[C@H](C)NC(=O)CCNC(=O)OCC(OC)OC(CO)CCOC(COC(=O)NCCC(=O)NCCNC(=O)CCOCCOCCNC(=O)CCN1C(=O)CC(SCC(N)C(O)=O)C1=O)OC(CO)CCOC(COC(=O)NCCC(O)=O)OC(CO)CCOC(CO)OC(CO)CCOC(COC(=O)NCCC(=O)NCCNC(=O)CCOCCOCCNC(=O)CCN1C(=O)CC(SC)C1=O)OC(CC)CO)OC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C(C)C
SMILES:CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@@H]1[C@H](OC)[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCCOC(=O)[C@H](C)NC(=O)CCNC(=O)OCC(OC)OC(CO)CCOC(COC(=O)NCCC(=O)NCCNC(=O)CCOCCOCCNC(=O)CCN1C(=O)CC(SCC(N)C(O)=O)C1=O)OC(CO)CCOC(COC(=O)NCCC(O)=O)OC(CO)CCOC(CO)OC(CO)CCOC(COC(=O)NCCC(=O)NCCNC(=O)CCOCCOCCNC(=O)CCN1C(=O)CC(SC)C1=O)OC(CC)CO)OC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C(C)C

Mp-polymer ester is a noncleavable antibody-drug conjugates (ADCs) linker typically employed in the synthesis of ADCs[1].

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供应商
TargetMolSC
规格
货期
纯度
-
待询
1

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