5(kpr)-tasp

Structural Information

Molecular Formula

C₁₃₂H₂₄₂N₅₀O₂₈S

SMILES

C1C[C@H](N(C1)C(=O)CNC(=O)[C@H](CCCCNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CCCCN)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CCCCN)N)C(=O)N[C@@H](CCCCNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]5CCCN5C(=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]6CCCN6C(=O)[C@H](CCCCN)N)C(=O)NCC(=O)N[C@@H](CS)C(=O)O

InChI

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

LQSNNKFBPPRQGG-MNAWBRSSSA-N

Compound name

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

Related CIDs

• CID 16130728