InChI=1S/C39H60N12O11/c1-6-20(4)31(37(60)49-28(15-23-17-43-18-45-23)34(57)46-21(5)38(61)62)51-35(58)27(14-22-9-11-24(52)12-10-22)48-36(59)30(19(2)3)50-33(56)26(8-7-13-44-39(41)42)47-32(55)25(40)16-29(53)54/h9-12,17-21,25-28,30-31,52H,6-8,13-16,40H2,1-5H3,(H,43,45)(H,46,57)(H,47,55)(H,48,59)(H,49,60)(H,50,56)(H,51,58)(H,53,54)(H,61,62)(H4,41,42,44)/t20-,21+,25-,26-,27-,28-,30-,31-/m0/s1

【InChIKey】

InChIKey=GZSZZUXDAPDPOR-NGIFJXEWSA-N

【SMILES】

CC[C@H](C)[C@@H](C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](C)C(=O)O)NC(=O)[C@H](Cc2ccc(cc2)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)N

【MOL File】

A-779.mol

2Chemical and Physical Properties

【Computed Properties】

H bond donor:14

H bond acceptor:23

XLogP3:-6.0

Bulk/Fine:F

3Material Safety Data Sheet(MSDS)

4CML File

A-779.cml

Quick Release

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159432-28-7 A-779

1Identification

【Name】

【CAS】

【MDL】

【English Synonyms】

【Formula】

【MolWeight】

【Inchi】