Name: Doxorubicin-MVCP
Rating: 5 (10 reviews)

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HIT ID:HIT212715881
Cas No:159857-70-2
常用名:Doxorubicin-MVCP
别名:MC-Val-Cit-PAB-Doxorubicin, MC-Val-Cit-PAB-Dox
别名:MC-Val-Cit-PAB-Doxorubicin, MC-Val-Cit-PAB-Dox
IUPAC:{4-[(2S)-5-(carbamoylamino)-2-[(2S)-2-[6-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanamido]-3-methylbutanamido]pentanamido]phenyl}methyl N-[(2S,3S,4S,6R)-3-hydroxy-2-methyl-6-{[(1S,3S)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl]oxy}oxan-4-yl]carbamate
IUPAC:{4-[(2S)-5-(carbamoylamino)-2-[(2S)-2-[6-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanamido]-3-methylbutanamido]pentanamido]phenyl}methyl N-[(2S,3S,4S,6R)-3-hydroxy-2-methyl-6-{[(1S,3S)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl]oxy}oxan-4-yl]carbamate
InChI key:AYPRDRFYAQTVPD-GITVTGCLSA-N

分子式:C56H67N7O19
分子量:1142.182
氢键供体数 (HBD):11
氢键受体数 (HBA):18
LogP:2.331697
SMILES:COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](NC(=O)OCc6ccc(NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](NC(=O)CCCCCN7C(=O)C=CC7=O)C(C)C)cc6)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO |c:57|
SMILES:COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](NC(=O)OCc6ccc(NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](NC(=O)CCCCCN7C(=O)C=CC7=O)C(C)C)cc6)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO |c:57|

Doxorubicin-MVCP (MC-Val-Cit-PAB-Doxorubicin) is a Doxorubicin derivative with an MC-Val-Cit-PAB linker.

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