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Substance Name: Pardaxin P 1, 14-glycine-15-glycine-31-glycine-
RN: 130689-89-3
InChIKey: JWINBOILGIZHHE-YYYTWWGASA-N

Molecular Formula

  • C143-H234-N36-O45

Molecular Weight

  • 3177.6286
 
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Names and Synonyms

  • Pardaxin P 1, 14-glycine-15-glycine-31-glycine-

Registry Numbers

CAS Registry Number

  • 130689-89-3

System Generated Number

  • 0130689893

Structure Descriptors

InChI

1S/C143H234N36O45/c1-21-76(14)113(175-139(219)114(77(15)22-2)174-123(203)86(41-31-33-49-145)160-136(216)103-43-35-51-179(103)142(222)115(78(16)23-3)176-129(209)92(55-74(10)11)163-117(197)79(17)153-124(204)94(57-84-38-28-25-29-39-84)165-128(208)93(158-105(189)58-146)56-83-36-26-24-27-37-83)138(218)171-100(69-185)134(214)172-101(70-186)141(221)178-50-34-42-102(178)135(215)151-60-107(191)149-61-108(192)156-85(40-30-32-48-144)122(202)177-116(82(20)187)140(220)166-91(54-73(8)9)125(205)164-90(53-72(6)7)127(207)168-97(66-182)131(211)155-81(19)119(199)173-112(75(12)13)137(217)152-63-110(194)159-96(65-181)130(210)154-80(18)118(198)162-89(52-71(4)5)126(206)169-98(67-183)133(213)170-99(68-184)132(212)167-95(64-180)120(200)150-59-106(190)148-62-109(193)157-87(44-46-104(147)188)121(201)161-88(143(223)224)45-47-111(195)196/h24-29,36-39,71-82,85-103,112-116,180-187H,21-23,30-35,40-70,144-146H2,1-20H3,(H2,147,188)(H,148,190)(H,149,191)(H,150,200)(H,151,215)(H,152,217)(H,153,204)(H,154,210)(H,155,211)(H,156,192)(H,157,193)(H,158,189)(H,159,194)(H,160,216)(H,161,201)(H,162,198)(H,163,197)(H,164,205)(H,165,208)(H,166,220)(H,167,212)(H,168,207)(H,169,206)(H,170,213)(H,171,218)(H,172,214)(H,173,199)(H,174,203)(H,175,219)(H,176,209)(H,177,202)(H,195,196)(H,223,224)/t76-,77-,78-,79-,80-,81-,82+,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,112-,113-,114-,115-,116-/m0/s1

InChIKey

JWINBOILGIZHHE-YYYTWWGASA-N

Smiles

CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc3ccccc3)NC(=O)CN)[C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N4CCC[C@H]4C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)NCC(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O