5(ker)-tasp

Structural Information

Molecular Formula

C₁₃₂H₂₄₂N₅₀O₃₈S

SMILES

C1C[C@H](N(C1)C(=O)CNC(=O)[C@H](CCCCNC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCNC(=O)[C@H](CCCNC(=N)N)NC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](CCCCN)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)N)C(=O)N[C@@H](CCCCNC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCNC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)N)C(=O)NCC(=O)N[C@@H](CS)C(=O)O

InChI

InChI=1S/C132H242N50O38S/c133-55-11-1-27-74(139)105(196)167-89(44-50-100(186)187)120(211)173-82(38-22-66-159-129(146)147)111(202)155-62-17-7-33-80(114(205)163-71-98(184)166-95(73-221)127(219)220)172-124(215)93(48-54-104(194)195)179-118(209)87(36-10-20-64-157-113(204)84(40-24-68-161-131(150)151)175-122(213)91(46-52-102(190)191)169-107(198)76(141)29-3-13-57-135)180-125(216)96-42-26-70-182(96)99(185)72-164-115(206)81(34-8-18-63-156-112(203)83(39-23-67-160-130(148)149)174-121(212)90(45-51-101(188)189)168-106(197)75(140)28-2-12-56-134)171-116(207)85(32-6-16-60-138)176-117(208)86(177-119(210)88(41-25-69-162-132(152)153)178-123(214)92(47-53-103(192)193)170-108(199)77(142)30-4-14-58-136)35-9-19-61-154-110(201)79(37-21-65-158-128(144)145)165-97(183)49-43-94(126(217)218)181-109(200)78(143)31-5-15-59-137/h74-96,221H,1-73,133-143H2,(H,154,201)(H,155,202)(H,156,203)(H,157,204)(H,163,205)(H,164,206)(H,165,183)(H,166,184)(H,167,196)(H,168,197)(H,169,198)(H,170,199)(H,171,207)(H,172,215)(H,173,211)(H,174,212)(H,175,213)(H,176,208)(H,177,210)(H,178,214)(H,179,209)(H,180,216)(H,181,200)(H,186,187)(H,188,189)(H,190,191)(H,192,193)(H,194,195)(H,217,218)(H,219,220)(H4,144,145,158)(H4,146,147,159)(H4,148,149,160)(H4,150,151,161)(H4,152,153,162)/t74-,75-,76-,77-,78-,79-,80-,81-,82+,83+,84+,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-/m0/s1

InChIKey

KZPVZROBZJJUKK-FMKYYDBKSA-N

Compound name

(2S)-5-[[(2S)-1-[[(5S)-6-[[(2S)-6-amino-1-[[(2S)-6-[[(2R)-5-carbamimidamido-2-[[(2S)-4-carboxy-2-[[(2S)-2,6-diaminohexanoyl]amino]butanoyl]amino]pentanoyl]amino]-1-[[2-[(2S)-2-[[(2S)-6-[[(2R)-5-carbamimidamido-2-[[(2S)-4-carboxy-2-[[(2S)-2,6-diaminohexanoyl]amino]butanoyl]amino]pentanoyl]amino]-1-[[(2S)-1-[[(2S)-6-[[(2R)-5-carbamimidamido-2-[[(2S)-4-carboxy-2-[[(2S)-2,6-diaminohexanoyl]amino]butanoyl]amino]pentanoyl]amino]-1-[[2-[[(1R)-1-carboxy-2-sulfanylethyl]amino]-2-oxoethyl]amino]-1-oxohexan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-[[(2S)-5-carbamimidamido-2-[[(2S)-4-carboxy-2-[[(2S)-2,6-diaminohexanoyl]amino]butanoyl]amino]pentanoyl]amino]-6-oxohexyl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-2-[[(2S)-2,6-diaminohexanoyl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16130738