InChI=1S/C63H107N23O16S/c1-34(2)28-42(81-52(92)39(13-7-22-72-62(67)68)78-58(98)47-17-11-26-86(47)59(99)40(14-8-23-73-63(69)70)79-50(90)37(65)18-19-48(66)88)53(93)83-44(32-87)55(95)82-43(29-36-30-71-33-75-36)54(94)77-38(12-5-6-21-64)51(91)74-31-49(89)84-24-9-15-45(84)57(97)80-41(20-27-103-4)60(100)85-25-10-16-46(85)56(96)76-35(3)61(101)102/h30,33-35,37-47,87H,5-29,31-32,64-65H2,1-4H3,(H2,66,88)(H,71,75)(H,74,91)(H,76,96)(H,77,94)(H,78,98)(H,79,90)(H,80,97)(H,81,92)(H,82,95)(H,83,93)(H,101,102)(H4,67,68,72)(H4,69,70,73)/t35-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-/m0/s1

【InChIKey】

InChIKey=PZJZONZEQDOQAZ-COFPHXSQSA-N

【SMILES】

CC(C)C[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N2CCC[C@H]2C(=O)N[C@@H](CCSC)C(=O)N3CCC[C@H]3C(=O)N[C@@H](C)C(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)N)N

【MOL File】

H-GLN-ARG-PRO-ARG-LE….mol

2Chemical and Physical Properties

【Computed Properties】

H bond donor:21

H bond acceptor:39

XLogP3:-15.0

Bulk/Fine:F

3Material Safety Data Sheet(MSDS)

4CML File

H-GLN-ARG-PRO-ARG-LEU-SER-HIS-LYS-GLY-PRO-MET-PRO-ALA-OH.cml

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568565-11-7 H-GLN-ARG-PRO-ARG-LEU-SER-HIS-LYS-GLY-PRO-MET-PRO-ALA-OH

1Identification

【Name】

【CAS】

【MDL】

【English Synonyms】

【Formula】

【MolWeight】

【Inchi】