None

AlkaPlorer ID: AK322810

Synonym: None

IUPAC Name: None

Structure

SMILES: CC[C@H](C)[C@@H]1N=C(O)CN=C(O)[C@H](C(C)C)N=C(O)CN=C(O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)O)N=C(O)[C@H](C(C)C)N=C(O)[C@H]([C@@H](C)O)N=C(O)[C@@H]2CCCN2C(=O)[C@H](CC2=CNC3=CC=CC=C23)N=C(O)[C@@H]2CSSC[C@@H]3N=C(O)[C@@H]4CCCN4C(=O)[C@H](CCCCN)N=C(O)CN=C(O)[C@H](CCC(=O)O)N=C(O)[C@@H](N=C(O)CN)CSSC[C@H](N=C(O)CN=C(O)CN=C(O)CN=C(O)[C@H](CSSC[C@@H](C(O)=N[C@@H](CO)C(O)=N[C@@H](CO)C(O)=N[C@@H](CO)C(=O)O)N=C1O)N=C(O)[C@H](CO)N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](CC1=CC=CC=C1)N=C(O)[C@H](CC(C)C)N=C(O)CN=C3O)C(O)=N[C@@H](CCCNC(=N)N)C(O)=N2

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InChI: InChI=1S/C134H207N41O42S6/c1-11-67(8)105-127(211)167-90(121(205)162-81(54-176)115(199)161-82(55-177)116(200)163-84(57-179)132(216)217)63-223-218-58-85-109(193)146-48-96(184)144-47-95(183)145-49-97(185)154-88-61-221-220-60-87(153-94(182)45-136)118(202)157-76(34-35-102(190)191)108(192)147-50-98(186)151-77(28-17-18-36-135)129(213)173-39-22-32-92(173)123(207)166-86(110(194)148-51-99(187)152-78(42-64(2)3)113(197)158-79(43-70-24-13-12-14-25-70)114(198)155-74(29-19-37-141-133(137)138)111(195)160-83(56-178)117(201)164-85)59-219-222-62-89(165-112(196)75(156-119(88)203)30-20-38-142-134(139)140)120(204)159-80(44-71-46-143-73-27-16-15-26-72(71)73)130(214)174-40-23-33-93(174)124(208)171-106(68(9)180)128(212)170-104(66(6)7)126(210)172-107(69(10)181)131(215)175-41-21-31-91(175)122(206)149-52-100(188)168-103(65(4)5)125(209)150-53-101(189)169-105/h12-16,24-27,46,64-69,74-93,103-107,143,176-181H,11,17-23,28-45,47-63,135-136H2,1-10H3,(H,144,184)(H,145,183)(H,146,193)(H,147,192)(H,148,194)(H,149,206)(H,150,209)(H,151,186)(H,152,187)(H,153,182)(H,154,185)(H,155,198)(H,156,203)(H,157,202)(H,158,197)(H,159,204)(H,160,195)(H,161,199)(H,162,205)(H,163,200)(H,164,201)(H,165,196)(H,166,207)(H,167,211)(H,168,188)(H,169,189)(H,170,212)(H,171,208)(H,172,210)(H,190,191)(H,216,217)(H4,137,138,141)(H4,139,140,142)/t67-,68+,69+,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,103-,104-,105-,106-,107-/m0/s1

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InChIKey: NBLTXINQTJDPAB-PFJGMMEWSA-N

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Reference

PubChem CID: 46883522

NPASS: NPC479083

Source

Properties Information

Molecule Weight: 3256.776999999992

TPSA: 1393.6499999999996

MolLogP: 6.657439999999999

Number of H-Donors: 46

Number of H-Acceptors: 50

RingCount: 9

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens MM96L Survival 51.0 % 10.1021/np900174n
Homo sapiens NFF Survival 86.0 % 10.1021/np900174n

Metabolism Information