InChI=1S/C35H61N13O10/c1-17(2)10-23(46-32(55)25(12-21-13-39-16-42-21)47-33(56)26(15-49)48-28(51)19(5)36)30(53)41-14-27(50)44-24(11-18(3)4)31(54)43-20(6)29(52)45-22(34(57)58)8-7-9-40-35(37)38/h13,16-20,22-26,49H,7-12,14-15,36H2,1-6H3,(H,39,42)(H,41,53)(H,43,54)(H,44,50)(H,45,52)(H,46,55)(H,47,56)(H,48,51)(H,57,58)(H4,37,38,40)/t19-,20-,22-,23-,24-,25-,26-/m0/s1

【InChIKey】

InChIKey=LYTNSBOBASKUDN-GUQPKPMOSA-N

【SMILES】

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

【MOL File】

C3A (70-77).mol

2Chemical and Physical Properties

【Computed Properties】

H bond donor:14

H bond acceptor:23

XLogP3:-7.0

Bulk/Fine:F

3Material Safety Data Sheet(MSDS)

4CML File

C3A (70-77).cml

Quick Release

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63555-63-5 C3A (70-77)

1Identification

【Name】

【CAS】

【MDL】

【English Synonyms】

【Formula】

【MolWeight】

【Inchi】