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Substance Name: Pardaxin P 1, 13-L-alanine-31-glycine-
RN: 130689-88-2
InChIKey: FVFSPTVZDWYODL-LELBAZTGSA-N

Molecular Formula

  • C152-H246-N36-O45

Molecular Weight

  • 3297.8224
 
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Names and Synonyms

  • Pardaxin P 1, 13-L-alanine-31-glycine-

Registry Numbers

CAS Registry Number

  • 130689-88-2

System Generated Number

  • 0130689882

Structure Descriptors

InChI

1S/C152H246N36O45/c1-24-82(16)120(185-149(229)121(83(17)25-2)184-130(210)94(48-37-39-55-154)168-146(226)112-49-40-56-188(112)151(231)122(84(18)26-3)186-139(219)101(61-80(12)13)172-124(204)85(19)160-132(212)103(63-91-43-32-28-33-44-91)174-137(217)102(165-114(198)65-155)62-90-41-30-27-31-42-90)148(228)182-111(75-195)145(225)180-108(72-192)142(222)162-87(21)126(206)170-97(57-76(4)5)133(213)175-104(64-92-45-34-29-35-46-92)138(218)167-93(47-36-38-54-153)131(211)187-123(89(23)196)150(230)176-100(60-79(10)11)134(214)173-99(59-78(8)9)136(216)178-107(71-191)141(221)163-88(22)127(207)183-119(81(14)15)147(227)159-68-117(201)166-106(70-190)140(220)161-86(20)125(205)171-98(58-77(6)7)135(215)179-109(73-193)144(224)181-110(74-194)143(223)177-105(69-189)128(208)158-66-115(199)157-67-116(200)164-95(50-52-113(156)197)129(209)169-96(152(232)233)51-53-118(202)203/h27-35,41-46,76-89,93-112,119-123,189-196H,24-26,36-40,47-75,153-155H2,1-23H3,(H2,156,197)(H,157,199)(H,158,208)(H,159,227)(H,160,212)(H,161,220)(H,162,222)(H,163,221)(H,164,200)(H,165,198)(H,166,201)(H,167,218)(H,168,226)(H,169,209)(H,170,206)(H,171,205)(H,172,204)(H,173,214)(H,174,217)(H,175,213)(H,176,230)(H,177,223)(H,178,216)(H,179,215)(H,180,225)(H,181,224)(H,182,228)(H,183,207)(H,184,210)(H,185,229)(H,186,219)(H,187,211)(H,202,203)(H,232,233)/t82-,83-,84-,85-,86-,87-,88-,89+,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,119-,120-,121-,122-,123-/m0/s1

InChIKey

FVFSPTVZDWYODL-LELBAZTGSA-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)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc4ccccc4)C(=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