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Sipennimrtiieflsflhlkeagal
FEATURES
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NAMES
  • SIPENNIMRTIIEFLSFLHLKEAGAL
SMILES
CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](N)CO)[C@@H](C)CC)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)O
InChI
InChI=1S/C135H218N34O38S/c1-21-71(13)105(164-126(198)95(61-100(139)174)161-125(197)94(60-99(138)173)160-115(187)85(43-46-103(178)179)151-128(200)98-41-34-51-169(98)133(205)108(74(16)24-4)167-112(184)81(137)64-170)129(201)153-87(48-52-208-20)117(189)148-83(40-33-50-143-135(140)141)118(190)168-109(77(19)172)132(204)166-107(73(15)23-3)131(203)165-106(72(14)22-2)130(202)152-86(44-47-104(180)181)116(188)157-91(57-78-35-27-25-28-36-78)122(194)155-90(55-69(9)10)121(193)163-97(65-171)127(199)158-92(58-79-37-29-26-30-38-79)123(195)154-89(54-68(7)8)120(192)159-93(59-80-62-142-66-145-80)124(196)156-88(53-67(5)6)119(191)149-82(39-31-32-49-136)114(186)150-84(42-45-102(176)177)113(185)147-75(17)110(182)144-63-101(175)146-76(18)111(183)162-96(134(206)207)56-70(11)12/h25-30,35-38,62,66-77,81-98,105-109,170-172H,21-24,31-34,39-61,63-65,136-137H2,1-20H3,(H2,138,173)(H2,139,174)(H,142,145)(H,144,182)(H,146,175)(H,147,185)(H,148,189)(H,149,191)(H,150,186)(H,151,200)(H,152,202)(H,153,201)(H,154,195)(H,155,194)(H,156,196)(H,157,188)(H,158,199)(H,159,192)(H,160,187)(H,161,197)(H,162,183)(H,163,193)(H,164,198)(H,165,203)(H,166,204)(H,167,184)(H,168,190)(H,176,177)(H,178,179)(H,180,181)(H,206,207)(H4,140,141,143)/t71-,72-,73-,74-,75-,76-,77+,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,105-,106-,107-,108-,109-/m0/s1
MOLECULAR FORMULA
C135H218N34O38S
CROSS REFERENCES
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Sipennimrtiieflsflhlkeagal

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 2955.59
AlogP -7.63
HBond donors 44
HBond acceptors 72
Atoms 426
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 Sipennimrtiieflsflhlkeagal.