5(pkr)-tasp

Structural Information

Molecular Formula

C₁₃₂H₂₄₂N₅₀O₂₈S

SMILES

C1C[C@H](NC1)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCNC(=N)N)C(=O)NCCCC[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2)C(=O)NCC(=O)N[C@@H](CS)C(=O)O)NC(=O)[C@@H]3CCCN3C(=O)CNC(=O)[C@H](CCCCNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]4CCCN4)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]5CCCN5)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]6CCCN6

InChI

InChI=1S/C132H242N50O28S/c133-55-11-1-32-90(172-111(193)79-42-21-65-149-79)116(198)168-86(47-26-70-158-128(139)140)105(187)154-61-17-7-38-84(109(191)163-76-102(183)165-100(78-211)127(209)210)167-125(207)99(53-54-104(185)186)180-123(205)97(41-10-20-64-157-108(190)89(50-29-73-161-131(145)146)171-119(201)93(35-4-14-58-136)175-114(196)82-45-24-68-152-82)181-126(208)101-52-31-75-182(101)103(184)77-164-110(192)85(39-8-18-62-155-106(188)87(48-27-71-159-129(141)142)169-117(199)91(33-2-12-56-134)173-112(194)80-43-22-66-150-80)166-120(202)95(37-6-16-60-138)177-122(204)96(178-124(206)98(51-30-74-162-132(147)148)179-121(203)94(36-5-15-59-137)176-115(197)83-46-25-69-153-83)40-9-19-63-156-107(189)88(49-28-72-160-130(143)144)170-118(200)92(34-3-13-57-135)174-113(195)81-44-23-67-151-81/h79-101,149-153,211H,1-78,133-138H2,(H,154,187)(H,155,188)(H,156,189)(H,157,190)(H,163,191)(H,164,192)(H,165,183)(H,166,202)(H,167,207)(H,168,198)(H,169,199)(H,170,200)(H,171,201)(H,172,193)(H,173,194)(H,174,195)(H,175,196)(H,176,197)(H,177,204)(H,178,206)(H,179,203)(H,180,205)(H,181,208)(H,185,186)(H,209,210)(H4,139,140,158)(H4,141,142,159)(H4,143,144,160)(H4,145,146,161)(H4,147,148,162)/t79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89+,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-/m0/s1

InChIKey

CTEDXNMPNMEAMR-RUQHZFGESA-N

Compound name

(4S)-4-[[(2S)-2-[[(2S)-1-[2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2,6-bis[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-pyrrolidine-2-carbonyl]amino]hexanoyl]amino]-5-carbamimidamidopentanoyl]amino]hexanoyl]amino]hexanoyl]amino]-6-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-pyrrolidine-2-carbonyl]amino]hexanoyl]amino]-5-carbamimidamidopentanoyl]amino]hexanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-6-[[(2R)-2-[[(2S)-6-amino-2-[[(2S)-pyrrolidine-2-carbonyl]amino]hexanoyl]amino]-5-carbamimidamidopentanoyl]amino]hexanoyl]amino]-5-[[(2S)-6-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-pyrrolidine-2-carbonyl]amino]hexanoyl]amino]-5-carbamimidamidopentanoyl]amino]-1-[[2-[[(1R)-1-carboxy-2-sulfanylethyl]amino]-2-oxoethyl]amino]-1-oxohexan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16130740