PENETRATIN

Search structure
Synonyms:
Status: Phase 1
Entry Type: Protein
Molecule Category: UNKNOWN
UNII: A2AQZ20TEK

Structure
InChI Key MCYTYTUNNNZWOK-LCLOTLQISA-N
Smile CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CCCNC(=N)N)[C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(N)=O
InChI
InChI=1S/C104H169N35O19S/c1-6-58(3)84(139-95(152)75(40-42-82(111)141)126-87(144)65(109)30-23-48-120-102(114)115)100(157)133-71(36-18-22-47-108)94(151)138-85(59(4)7-2)101(158)137-79(54-62-57-124-67-32-14-12-29-64(62)67)98(155)134-77(52-60-26-9-8-10-27-60)96(153)131-74(39-41-81(110)140)92(149)136-80(55-83(112)142)99(156)130-73(38-25-50-122-104(118)119)89(146)128-72(37-24-49-121-103(116)117)90(147)132-76(43-51-159-5)93(150)127-70(35-17-21-46-107)91(148)135-78(53-61-56-123-66-31-13-11-28-63(61)66)97(154)129-69(34-16-20-45-106)88(145)125-68(86(113)143)33-15-19-44-105/h8-14,26-29,31-32,56-59,65,68-80,84-85,123-124H,6-7,15-25,30,33-55,105-109H2,1-5H3,(H2,110,140)(H2,111,141)(H2,112,142)(H2,113,143)(H,125,145)(H,126,144)(H,127,150)(H,128,146)(H,129,154)(H,130,156)(H,131,153)(H,132,147)(H,133,157)(H,134,155)(H,135,148)(H,136,149)(H,137,158)(H,138,151)(H,139,152)(H4,114,115,120)(H4,116,117,121)(H4,118,119,122)/t58-,59-,65-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,84-,85-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C104H169N35O19S
Molecular Weight 2245.79
AlogP None
Hydrogen Bond Acceptor None
Hydrogen Bond Donor None
Number of Rotational Bond None
Polar Surface Area None
Molecular species None
Aromatic Rings None
Heavy Atoms None

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL439448
FDA SRS A2AQZ20TEK
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