Name: Mal-amido-PEG8-Val-Ala-PAB-SG3200
Rating: 5 (10 reviews)

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结构编辑

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HIT ID:HIT217583473
Cas No:2025353-40-4
常用名:Mal-amido-PEG8-Val-Ala-PAB-SG3200
常用名:Mal-amido-PEG8-Val-Ala-PAB-SG3200
IUPAC:{4-[(2S)-2-[(2S)-2-{1-[3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)propanamido]-3,6,9,12,15,18,21,24-octaoxaheptacosan-27-amido}-3-methylbutanamido]propanamido]phenyl}methyl (7S,8S)-8-hydroxy-13-methoxy-12-(3-{[(7S)-13-methoxy-5-methyl-2-oxo-3,9-diazatricyclo[8.4.0.0^{3,7}]tetradeca-1(14),4,8,10,12-pentaen-12-yl]oxy}propoxy)-5-methyl-2-oxo-3,9-diazatricyclo[8.4.0.0^{3,7}]tetradeca-1(10),4,11,13-tetraene-9-carboxylate
IUPAC:{4-[(2S)-2-[(2S)-2-{1-[3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)propanamido]-3,6,9,12,15,18,21,24-octaoxaheptacosan-27-amido}-3-methylbutanamido]propanamido]phenyl}methyl (7S,8S)-8-hydroxy-13-methoxy-12-(3-{[(7S)-13-methoxy-5-methyl-2-oxo-3,9-diazatricyclo[8.4.0.0^{3,7}]tetradeca-1(14),4,8,10,12-pentaen-12-yl]oxy}propoxy)-5-methyl-2-oxo-3,9-diazatricyclo[8.4.0.0^{3,7}]tetradeca-1(10),4,11,13-tetraene-9-carboxylate
InChI key:APJPXDKCZLTGNQ-PZVLBMEASA-N

分子式:C73H97N9O23
分子量:1468.619
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]12CC(C)=CN1C(=O)c1cc(OC)c(OCCCOc3cc4N([C@@H](O)[C@]5([H])CC(C)=CN5C(=O)c4cc3OC)C(=O)OCc3ccc(NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCN4C(=O)C=CC4=O)C(C)C)cc3)cc1N=C2
SMILES:[H][C@@]12CC(C)=CN1C(=O)c1cc(OC)c(OCCCOc3cc4N([C@@H](O)[C@]5([H])CC(C)=CN5C(=O)c4cc3OC)C(=O)OCc3ccc(NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCN4C(=O)C=CC4=O)C(C)C)cc3)cc1N=C2

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