basic_info |
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Product_Name: | AC-ASP-ASN-LEU-ASP-MCA |
EnglishSynonyms: | ACETYL-L-ASPARTYL-L-ASPARAGINYL-L-LEUCYL-L-ASPARTIC-ACID ALPHA-(4-METHYL-COUMARYL-7-AMIDE) ; AC-ASP-ASN-LEU-ASP-MCA ; ACETYL-L-ASPARTYL-L-ASPARAGINYL-L-LEUCYL-L-ASPARTIC ACID A-(4-METHYL-COUMARYL-7-AMIDE) ; AC-DNLD-MCA |
pro_mdlNumber: | MFCD07368596 |
pro_acceptors: | 18 |
pro_donors: | 8 |
pro_smile: | Cc1cc(=O)oc2c1ccc(c2)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(=O)O)NC(=O)C |
InChi: | InChI=1S/C30H38N6O12/c1-13(2)7-18(34-29(46)19(10-23(31)38)35-30(47)20(11-24(39)40)32-15(4)37)28(45)36-21(12-25(41)42)27(44)33-16-5-6-17-14(3)8-26(43)48-22(17)9-16/h5-6,8-9,13,18-21H,7,10-12H2,1-4H3,(H2,31,38)(H,32,37)(H,33,44)(H,34,46)(H,35,47)(H,36,45)(H,39,40)(H,41,42)/t18-,19-,20-,21-/m0/s1 |
InChiKey: | InChIKey=IBRRXVTUFUKLDZ-TUFLPTIASA-N |
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