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Minianp
FEATURES
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NAMES
  • MiniANP
  • Mintanp
SMILES
CC[C@H](C)[C@@H]1NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](CCSC)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)CNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](NC(=O)[C@@H](N)CCSC)CSSC[C@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCN=C(N)N)C(N)=O)NC(=O)[C@@H](CO)NC1=O
InChI
InChI=1S/C75H117N27O19S4/c1-5-39(2)59-72(121)99-53(35-103)69(118)101-55(71(120)96-50(29-41-17-19-43(104)20-18-41)66(115)92-45(60(77)109)14-9-23-85-73(78)79)37-125-124-36-54(100-61(110)44(76)21-26-122-3)70(119)97-51(30-42-32-84-38-90-42)67(116)95-49(28-40-12-7-6-8-13-40)62(111)89-33-56(105)88-34-57(106)91-46(15-10-24-86-74(80)81)63(112)94-48(22-27-123-4)64(113)98-52(31-58(107)108)68(117)93-47(65(114)102-59)16-11-25-87-75(82)83/h6-8,12-13,17-20,32,38-39,44-55,59,103-104H,5,9-11,14-16,21-31,33-37,76H2,1-4H3,(H2,77,109)(H,84,90)(H,88,105)(H,89,111)(H,91,106)(H,92,115)(H,93,117)(H,94,112)(H,95,116)(H,96,120)(H,97,119)(H,98,113)(H,99,121)(H,100,110)(H,101,118)(H,102,114)(H,107,108)(H4,78,79,85)(H4,80,81,86)(H4,82,83,87)/t39-,44-,45-,46-,47+,48+,49+,50-,51-,52-,53+,54-,55+,59-/m0/s1
MOLECULAR FORMULA
C75H117N27O19S4
CROSS REFERENCES
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Minianp

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 1827.79
AlogP -8.42
HBond donors 34
HBond acceptors 46
Atoms 242
Contains toxicophore No
Contains PAINS No
Commercially available Unknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by Minianp.