InChI=1S/C46H63N7O12S/c1-25(2)40(52-43(61)33(48-28(5)54)21-29-16-18-30(55)19-17-29)44(62)49-31(13-8-9-20-47-37(57)15-7-6-14-36-41-34(24-66-36)51-46(64)53-41)42(60)50-32(22-38(58)59)35(56)23-65-45(63)39-26(3)11-10-12-27(39)4/h10-12,16-19,25,31-34,36,40-41,55H,6-9,13-15,20-24H2,1-5H3,(H,47,57)(H,48,54)(H,49,62)(H,50,60)(H,52,61)(H,58,59)(H2,51,53,64)/t31-,32-,33-,34-,36-,40-,41-/m0/s1

【InChIKey】

InChIKey=SQVWAAVGDUBSLA-NCHNNOHISA-N

【SMILES】

Cc1cccc(c1C(=O)OCC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCNC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc4ccc(cc4)O)NC(=O)C)C

【MOL File】

AC-TYR-VAL-LYS(BIOTI….mol

2Chemical and Physical Properties

【Computed Properties】

H bond donor:9

H bond acceptor:19

XLogP3:2.0

Bulk/Fine:F

3Material Safety Data Sheet(MSDS)

4CML File

AC-TYR-VAL-LYS(BIOTINYL)-ASP-2,6-DIMETHYLBENZOYLOXYMETHYLKETONE.cml

Quick Release

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154719-25-2 AC-TYR-VAL-LYS(BIOTINYL)-ASP-2,6-DIMETHYLBENZOYLOXYMETHYLKETONE

1Identification

【Name】

【CAS】

【MDL】

【English Synonyms】

【Formula】

【MolWeight】

【Inchi】