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Clavanin B
FEATURES
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NAMES
  • Clavanin B
SMILES
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)C(C)C)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)O)C(C)C)C(C)C)C(C)C)[C@@H](C)CC
InChI
InChI=1S/C131H184N36O27/c1-15-75(13)109(167-129(192)110(76(14)16-2)166-114(177)86(43-32-46-141-131(135)136)149-102(171)62-142-111(174)88(47-70(3)4)153-117(180)90(49-78-35-24-18-25-36-78)154-113(176)87(44-45-100(132)169)152-116(179)91(50-79-37-26-19-27-38-79)158-124(187)105(134)71(5)6)128(191)160-94(54-83-59-138-67-146-83)118(181)156-95(55-84-60-139-68-147-84)121(184)163-106(72(7)8)125(188)144-64-104(173)151-97(57-101(133)170)119(182)155-92(51-80-39-28-20-29-40-80)120(183)164-107(73(9)10)126(189)159-93(53-82-58-137-66-145-82)112(175)143-63-103(172)150-89(48-77-33-22-17-23-34-77)115(178)162-99(65-168)123(186)157-96(56-85-61-140-69-148-85)122(185)165-108(74(11)12)127(190)161-98(130(193)194)52-81-41-30-21-31-42-81/h17-31,33-42,58-61,66-76,86-99,105-110,168H,15-16,32,43-57,62-65,134H2,1-14H3,(H2,132,169)(H2,133,170)(H,137,145)(H,138,146)(H,139,147)(H,140,148)(H,142,174)(H,143,175)(H,144,188)(H,149,171)(H,150,172)(H,151,173)(H,152,179)(H,153,180)(H,154,176)(H,155,182)(H,156,181)(H,157,186)(H,158,187)(H,159,189)(H,160,191)(H,161,190)(H,162,178)(H,163,184)(H,164,183)(H,165,185)(H,166,177)(H,167,192)(H,193,194)(H4,135,136,141)/t75-,76-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,105-,106-,107-,108-,109-,110-/m0/s1
MOLECULAR FORMULA
C131H184N36O27
CROSS REFERENCES
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Clavanin B

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 2693.41
AlogP -4.81
HBond donors 38
HBond acceptors 63
Atoms 378
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 Clavanin B.