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

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HIT ID:HIT214314821
Cas No:1639793-15-9
常用名:MC-Val-Cit-PAB-Retapamulin
IUPAC:(1R,3S,5S,8S)-8-({4-[(2S)-5-(carbamoylamino)-2-[(2S)-2-[6-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanamido]-3-methylbutanamido]pentanamido]phenyl}methyl)-3-[(2-{[(1S,2R,3S,4S,6R,7R,8R,14R)-4-ethenyl-3-hydroxy-2,4,7,14-tetramethyl-9-oxotricyclo[5.4.3.0^{1,8}]tetradecan-6-yl]oxy}-2-oxoethyl)sulfanyl]-8-methyl-8-azabicyclo[3.2.1]octan-8-ium
IUPAC:(1R,3S,5S,8S)-8-({4-[(2S)-5-(carbamoylamino)-2-[(2S)-2-[6-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanamido]-3-methylbutanamido]pentanamido]phenyl}methyl)-3-[(2-{[(1S,2R,3S,4S,6R,7R,8R,14R)-4-ethenyl-3-hydroxy-2,4,7,14-tetramethyl-9-oxotricyclo[5.4.3.0^{1,8}]tetradecan-6-yl]oxy}-2-oxoethyl)sulfanyl]-8-methyl-8-azabicyclo[3.2.1]octan-8-ium
InChI key:JYMCVUUKLDZABV-PFKCCLIMSA-O

分子式:C58H86N7O10S
分子量:1073.42
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]12C(=O)CC[C@]11CC[C@@H](C)[C@@]2(C)[C@@H](C[C@@](C)(C=C)[C@@H](O)[C@@H]1C)OC(=O)CS[C@H]1C[C@@H]2CC[C@H](C1)[N@@+]2(C)Cc1ccc(NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](NC(=O)CCCCCN2C(=O)C=CC2=O)C(C)C)cc1 |c:73,TLB:27:28:35:31.32,36:35:28.34.29:31.32,THB:37:35:28.34.29:31.32|
SMILES:[H][C@@]12C(=O)CC[C@]11CC[C@@H](C)[C@@]2(C)[C@@H](C[C@@](C)(C=C)[C@@H](O)[C@@H]1C)OC(=O)CS[C@H]1C[C@@H]2CC[C@H](C1)[N@@+]2(C)Cc1ccc(NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](NC(=O)CCCCCN2C(=O)C=CC2=O)C(C)C)cc1 |c:73,TLB:27:28:35:31.32,36:35:28.34.29:31.32,THB:37:35:28.34.29:31.32|

MC-Val-Cit-PAB-Retapamulin is a drug-linker conjugate for antibody-drug conjugates (ADC) that exhibits potent antitumor activity. This compound utilizes Retapamulin, a ribosome inhibitor, connected through the ADC linker MC-Val-Cit-PAB.

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