Delta-hemolysin

Structural Information

Molecular Formula

C₁₃₇H₂₂₇N₃₃O₄₀S

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)N

InChI

InChI=1S/C137H227N33O40S/c1-22-69(12)104(129(201)158-94(62-101(182)183)124(196)169-110(76(19)174)135(207)162-103(68(10)11)128(200)157-91(59-98(144)177)118(190)148-83(44-32-36-51-138)115(187)153-89(57-78-40-28-27-29-41-78)121(193)168-109(75(18)173)134(206)150-84(45-33-37-52-139)114(186)151-87(137(209)210)47-35-39-54-141)165-132(204)107(72(15)25-4)163-122(194)90(58-79-63-145-82-43-31-30-42-80(79)82)154-116(188)85(46-34-38-53-140)149-127(199)102(67(8)9)161-120(192)88(56-66(6)7)152-119(191)92(60-99(178)179)156-125(197)95(64-171)159-131(203)106(71(14)24-3)167-136(208)111(77(20)175)170-126(198)96(65-172)160-130(202)105(70(13)23-2)166-133(205)108(73(16)26-5)164-123(195)93(61-100(180)181)155-117(189)86(48-49-97(143)176)147-112(184)74(17)146-113(185)81(142)50-55-211-21/h27-31,40-43,63,66-77,81,83-96,102-111,145,171-175H,22-26,32-39,44-62,64-65,138-142H2,1-21H3,(H2,143,176)(H2,144,177)(H,146,185)(H,147,184)(H,148,190)(H,149,199)(H,150,206)(H,151,186)(H,152,191)(H,153,187)(H,154,188)(H,155,189)(H,156,197)(H,157,200)(H,158,201)(H,159,203)(H,160,202)(H,161,192)(H,162,207)(H,163,194)(H,164,195)(H,165,204)(H,166,205)(H,167,208)(H,168,193)(H,169,196)(H,170,198)(H,178,179)(H,180,181)(H,182,183)(H,209,210)/t69-,70-,71-,72-,73-,74-,75+,76+,77+,81-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-/m0/s1

InChIKey

FWPKHBSTLJXXIA-CATQOQJWSA-N

Compound name

(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]propanoyl]amino]-5-oxopentanoyl]amino]-3-carboxypropanoyl]amino]-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]hexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]-3-carboxypropanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylbutanoyl]amino]-4-oxobutanoyl]amino]hexanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]hexanoyl]amino]hexanoic acid

Related CIDs

• CID 126843389