Name: Mal-Bal-Ph(β-D-Glucose)-7-MAD-MDCPT
Rating: 5 (10 reviews)

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HIT ID:HIT218903924
Cas No:
常用名:Mal-Bal-Ph(β-D-Glucose)-7-MAD-MDCPT
常用名:Mal-Bal-Ph(β-D-Glucose)-7-MAD-MDCPT
IUPAC:(2S,3S,4S,5R,6S)-6-(2-{3-[3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)propanamido]propanamido}-4-{[({[(5S)-5-ethyl-5-hydroxy-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-14-yl]methyl}carbamoyl)oxy]methyl}phenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
IUPAC:(2S,3S,4S,5R,6S)-6-(2-{3-[3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)propanamido]propanamido}-4-{[({[(5S)-5-ethyl-5-hydroxy-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-14-yl]methyl}carbamoyl)oxy]methyl}phenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
InChI key:IOLSZEGATCBQMU-RDAIPEHWSA-N

分子式:C46H44N6O19
分子量:984.881
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cc5OCOc5cc4c(CNC(=O)OCc4ccc(O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)C(O)=O)c(NC(=O)CCNC(=O)CCN5C(=O)C=CC5=O)c4)c3Cn1c2=O
SMILES:CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cc5OCOc5cc4c(CNC(=O)OCc4ccc(O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)C(O)=O)c(NC(=O)CCNC(=O)CCN5C(=O)C=CC5=O)c4)c3Cn1c2=O

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