5[k-.psi.(ch2n)pr]-tasp

Structural Information

Molecular Formula

C₁₃₂H₂₅₂N₅₀O₂₃S

SMILES

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

InChI

InChI=1S/C132H252N50O23S/c133-55-11-1-32-84(139)78-177-70-26-47-101(177)121(198)171-91(42-21-65-158-128(144)145)110(187)154-61-17-7-38-89(114(191)163-76-107(183)165-100(83-206)127(204)205)167-120(197)99(53-54-109(185)186)170-118(195)97(41-10-20-64-157-113(190)94(45-24-68-161-131(150)151)174-124(201)104-50-29-73-180(104)81-87(142)35-4-14-58-136)176-126(203)106-52-31-75-182(106)108(184)77-164-115(192)90(39-8-18-62-155-111(188)92(43-22-66-159-129(146)147)172-122(199)102-48-27-71-178(102)79-85(140)33-2-12-56-134)166-116(193)95(37-6-16-60-138)168-117(194)96(169-119(196)98(46-25-69-162-132(152)153)175-125(202)105-51-30-74-181(105)82-88(143)36-5-15-59-137)40-9-19-63-156-112(189)93(44-23-67-160-130(148)149)173-123(200)103-49-28-72-179(103)80-86(141)34-3-13-57-135/h84-106,206H,1-83,133-143H2,(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,171,198)(H,172,199)(H,173,200)(H,174,201)(H,175,202)(H,176,203)(H,185,186)(H,204,205)(H4,144,145,158)(H4,146,147,159)(H4,148,149,160)(H4,150,151,161)(H4,152,153,162)/t84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-/m0/s1

InChIKey

DMZCZWHCVUXTSX-KYGNXFOLSA-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-diaminohexyl]pyrrolidine-2-carbonyl]amino]pentanoyl]amino]hexanoyl]amino]hexanoyl]amino]-6-[[(2S)-5-carbamimidamido-2-[[(2S)-1-[(2S)-2,6-diaminohexyl]pyrrolidine-2-carbonyl]amino]pentanoyl]amino]hexanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-6-[[(2S)-5-carbamimidamido-2-[[(2S)-1-[(2S)-2,6-diaminohexyl]pyrrolidine-2-carbonyl]amino]pentanoyl]amino]hexanoyl]amino]-5-[[(2S)-6-[[(2S)-5-carbamimidamido-2-[[(2S)-1-[(2S)-2,6-diaminohexyl]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 16130741