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

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HIT ID:HIT212667991
Cas No:2055896-83-6
常用名:MC-Val-Cit-PAB-carfilzomib iodide
常用名:MC-Val-Cit-PAB-carfilzomib iodide
别名:MC-Val-Cit-PAB-carfilzomib
IUPAC:4-({4-[(2S)-5-(carbamoylamino)-2-[(2S)-2-[6-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanamido]-3-methylbutanamido]pentanamido]phenyl}methyl)-4-({[(1S)-1-{[(1S)-3-methyl-1-{[(1S)-1-{[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]carbamoyl}-2-phenylethyl]carbamoyl}butyl]carbamoyl}-3-phenylpropyl]carbamoyl}methyl)morpholin-4-ium
IUPAC:4-({4-[(2S)-5-(carbamoylamino)-2-[(2S)-2-[6-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanamido]-3-methylbutanamido]pentanamido]phenyl}methyl)-4-({[(1S)-1-{[(1S)-3-methyl-1-{[(1S)-1-{[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]carbamoyl}-2-phenylethyl]carbamoyl}butyl]carbamoyl}-3-phenylpropyl]carbamoyl}methyl)morpholin-4-ium
InChI key:LFLRXYNLTLDZQQ-KPOMOQQRSA-O

分子式:C68H96N11O13
分子量:1275.579
氢键供体数 (HBD):9
氢键受体数 (HBA):13
LogP:0.4247685
SMILES:CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)NC(=O)C[N+]1(Cc2ccc(NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](NC(=O)CCCCCN3C(=O)C=CC3=O)C(C)C)cc2)CCOCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1 |c:54|
SMILES:CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)NC(=O)C[N+]1(Cc2ccc(NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](NC(=O)CCCCCN3C(=O)C=CC3=O)C(C)C)cc2)CCOCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1 |c:54|

MC-Val-Cit-PAB-carfilzomib is a potent antitumor drug-linker conjugate for antibody-drug conjugates (ADC), comprising the irreversible proteasome inhibitor carfilzomib, connected through the ADC linker MC-Val-Cit-PAB.

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