Name: MC-Val-Cit-PAB-MMAF
Rating: 5 (10 reviews)

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HIT ID:HIT212667997
Cas No:863971-17-9
常用名:MC-Val-Cit-PAB-MMAF
IUPAC:(2S)-2-[(2R)-2-[(R)-[(2S)-1-[(3R,4R,5S)-4-[(2S)-2-[(2S)-2-{[({4-[(2S)-5-(carbamoylamino)-2-[(2S)-2-[6-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanamido]-3-methylbutanamido]pentanamido]phenyl}methoxy)carbonyl](methyl)amino}-3-methylbutanamido]-N,3-dimethylbutanamido]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl](methoxy)methyl]propanamido]-3-phenylpropanoic acid
IUPAC:(2S)-2-[(2R)-2-[(R)-[(2S)-1-[(3R,4R,5S)-4-[(2S)-2-[(2S)-2-{[({4-[(2S)-5-(carbamoylamino)-2-[(2S)-2-[6-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanamido]-3-methylbutanamido]pentanamido]phenyl}methoxy)carbonyl](methyl)amino}-3-methylbutanamido]-N,3-dimethylbutanamido]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl](methoxy)methyl]propanamido]-3-phenylpropanoic acid
InChI key:BDITVJHHJUTHBB-DNIGJBFUSA-N

分子式:C68H103N11O16
分子量:1330.633
氢键供体数 (HBD):8
氢键受体数 (HBA):15
LogP:4.3243513
SMILES:[H][C@]([C@@H](C)CC)([C@@H](CC(=O)N1CCC[C@@]1([H])[C@H](OC)[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(O)=O)OC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C(=O)OCc1ccc(NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](NC(=O)CCCCCN2C(=O)C=CC2=O)C(C)C)cc1)C(C)C |c:87|
SMILES:[H][C@]([C@@H](C)CC)([C@@H](CC(=O)N1CCC[C@@]1([H])[C@H](OC)[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(O)=O)OC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C(=O)OCc1ccc(NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](NC(=O)CCCCCN2C(=O)C=CC2=O)C(C)C)cc1)C(C)C |c:87|

MC-Val-Cit-PAB-MMAF is an antibody-drug conjugate (ADC) component that exhibits antitumor properties through the action of the tubulin inhibitor, monomethyl auristatin F (MMAF), which is connected by a cathepsin-cleavable linker, MC-Val-Cit-PAB.

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