CL2A-FL118 | CAS 3025194-00-4

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HIT ID:HIT219251390
Cas No:3025194-00-4
常用名:CL2A-FL118
IUPAC:{4-[(2S)-6-amino-2-(2-{[(26-{4-[({4-[(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)methyl]cyclohexyl}formamido)methyl]-1H-1,2,3-triazol-1-yl}-3,6,9,12,15,18,21,24-octaoxahexacosan-1-yl)carbamoyl]methoxy}acetamido)hexanamido]phenyl}methyl (5S)-5-ethyl-6,10-dioxo-7,18,20-trioxa-11,24-diazahexacyclo[11.11.0.0^{2,11}.0^{4,9}.0^{15,23}.0^{17,21}]tetracosa-1(24),2,4(9),13,15,17(21),22-heptaen-5-yl carbonate
IUPAC:{4-[(2S)-6-amino-2-(2-{[(26-{4-[({4-[(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)methyl]cyclohexyl}formamido)methyl]-1H-1,2,3-triazol-1-yl}-3,6,9,12,15,18,21,24-octaoxahexacosan-1-yl)carbamoyl]methoxy}acetamido)hexanamido]phenyl}methyl (5S)-5-ethyl-6,10-dioxo-7,18,20-trioxa-11,24-diazahexacyclo[11.11.0.0^{2,11}.0^{4,9}.0^{15,23}.0^{17,21}]tetracosa-1(24),2,4(9),13,15,17(21),22-heptaen-5-yl carbonate
InChI key:OKAUBIJYYWJHQX-SZOFRYSFSA-N

分子式:C72H93N11O23
分子量:1480.59
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC[C@@]1(OC(=O)OCc2ccc(NC(=O)[C@H](CCCCN)NC(=O)COCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCn3cc(CNC(=O)C4CCC(CN5C(=O)C=CC5=O)CC4)nn3)cc2)C(=O)OCc2c1cc1-c3nc4cc5OCOc5cc4cc3Cn1c2=O
SMILES:CC[C@@]1(OC(=O)OCc2ccc(NC(=O)[C@H](CCCCN)NC(=O)COCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCn3cc(CNC(=O)C4CCC(CN5C(=O)C=CC5=O)CC4)nn3)cc2)C(=O)OCc2c1cc1-c3nc4cc5OCOc5cc4cc3Cn1c2=O

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