InChI=1S/C66H95N19O26/c1-31(2)53(85-48(90)29-73-55(100)35(67)16-19-49(91)92)64(109)83-42(26-46(69)88)61(106)82-43(27-52(97)98)62(107)81-41(25-45(68)87)60(105)78-37(18-21-51(95)96)57(102)77-36(17-20-50(93)94)56(101)74-28-47(89)76-39(23-33-11-6-4-7-12-33)58(103)80-40(24-34-13-8-5-9-14-34)59(104)84-44(30-86)63(108)75-32(3)54(99)79-38(65(110)111)15-10-22-72-66(70)71/h4-9,11-14,31-32,35-44,53,86H,10,15-30,67H2,1-3H3,(H2,68,87)(H2,69,88)(H,73,100)(H,74,101)(H,75,108)(H,76,89)(H,77,102)(H,78,105)(H,79,99)(H,80,103)(H,81,107)(H,82,106)(H,83,109)(H,84,104)(H,85,90)(H,91,92)(H,93,94)(H,95,96)(H,97,98)(H,110,111)(H4,70,71,72)/t32-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,53-/m0/s1

【InChIKey】

InChIKey=KPBJTGOVJLITON-OECXYHNASA-N

【SMILES】

CC(C)[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)NC(=O)CNC(=O)[C@H](CCC(=O)O)N

【MOL File】

GLU-GLY-VAL-ASN-ASP-….mol

2Chemical and Physical Properties

【Computed Properties】

H bond donor:25

H bond acceptor:45

XLogP3:-14.0

Bulk/Fine:F

3Material Safety Data Sheet(MSDS)

【WGK Germany】

4CML File

GLU-GLY-VAL-ASN-ASP-ASN-GLU-GLU-GLY-PHE-PHE-SER-ALA-ARG.cml

Quick Release

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103213-49-6 GLU-GLY-VAL-ASN-ASP-ASN-GLU-GLU-GLY-PHE-PHE-SER-ALA-ARG

1Identification

【Name】

【CAS】

【MDL】

【English Synonyms】

【Formula】

【MolWeight】

【Inchi】