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Prenisin
FEATURES
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NAMES
  • PRENISIN
SMILES
C=C(NC(=O)[C@H](NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)[C@H](NC(=O)[C@@H](CO)NC(=O)[C@H]1CS[C@H](C)[C@@H]2NC(=O)[C@@H](C)NC(=O)[C@@H](NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](CCSC)NC(=O)[C@@H](CC(N)=O)[C@H]3CS[C@H](C)[C@H](NC(=O)[C@@H](CCCCN)NC(=O)[C@H]4CS[C@H](C)[C@H](NC(=O)[C@H]5CSC[C@H](NC(=O)/C(=C/C)NC(=O)[C@H](N)[C@H](C)CC)C(=O)N[C@H]([C@H](C)CC)C(=O)NC(=C)C(=O)N[C@H](CC(C)C)C(=O)N5)C(=O)N5CCC[C@@H]5C(=O)NCC(=O)N4)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](CCSC)C(=O)NCC(=O)N3)[C@@H](C)SC[C@@H](NC2=O)C(=O)N[C@H](Cc2cnc[nH]2)C(=O)N1)[C@H](C)CC)C(C)C)C(=O)N[C@H](CCCCN)C(=O)O
InChI
InChI=1S/C142H229N41O36S7/c1-24-69(11)105(147)134(210)161-83(27-4)119(195)172-95-58-222-59-96(173-124(200)90(48-67(7)8)168-115(191)74(16)157-137(213)107(70(12)25-2)178-131(95)207)132(208)182-112-79(21)226-61-97(160-104(188)56-151-133(209)100-38-34-44-183(100)141(112)217)128(204)164-85(36-29-32-42-144)121(197)180-109-76(18)223-60-94(159-103(187)55-150-118(194)86(39-45-220-22)165-123(199)89(47-66(5)6)167-113(189)72(14)155-102(186)54-152-135(109)211)82(51-101(146)185)117(193)162-87(40-46-221-23)120(196)163-84(35-28-31-41-143)122(198)181-110-77(19)225-63-99-129(205)169-91(49-80-52-148-64-153-80)125(201)174-98(62-224-78(20)111(140(216)175-99)179-116(192)75(17)158-139(110)215)130(206)171-93(57-184)127(203)177-108(71(13)26-3)138(214)170-92(50-81-53-149-65-154-81)126(202)176-106(68(9)10)136(212)156-73(15)114(190)166-88(142(218)219)37-30-33-43-145/h27,52-53,64-72,75-79,82,84-100,105-112,184H,15-16,24-26,28-51,54-63,143-145,147H2,1-14,17-23H3,(H2,146,185)(H,148,153)(H,149,154)(H,150,194)(H,151,209)(H,152,211)(H,155,186)(H,156,212)(H,157,213)(H,158,215)(H,159,187)(H,160,188)(H,161,210)(H,162,193)(H,163,196)(H,164,204)(H,165,199)(H,166,190)(H,167,189)(H,168,191)(H,169,205)(H,170,214)(H,171,206)(H,172,195)(H,173,200)(H,174,201)(H,175,216)(H,176,202)(H,177,203)(H,178,207)(H,179,192)(H,180,197)(H,181,198)(H,182,208)(H,218,219)/b83-27-/t69-,70-,71-,72-,75-,76-,77-,78-,79-,82+,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95+,96-,97-,98-,99-,100-,105-,106-,107-,108-,109+,110+,111+,112+/m1/s1
MOLECULAR FORMULA
C142H229N41O36S7
CROSS REFERENCES
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Prenisin

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 3308.54
AlogP -10.34
HBond donors 45
HBond acceptors 77
Atoms 455
Contains toxicophore Yes
Contains PAINS No
Commercially available Unknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by Prenisin.