5[r.psi.(ch2n)pn]-tasp

Structural Information

Molecular Formula

C₁₂₂H₂₂₂N₅₀O₂₈S

SMILES

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

InChI

InChI=1S/C122H222N50O28S/c123-40-6-1-27-76(158-107(189)77(159-110(192)84(60-96(133)177)166-115(197)90-36-20-54-171(90)67-73(128)26-15-49-152-122(142)143)30-4-9-43-146-104(186)82(58-94(131)175)164-113(195)88-34-18-52-169(88)65-71(126)24-13-47-150-120(138)139)106(188)156-75(29-3-8-42-145-103(185)81(57-93(130)174)163-112(194)87-33-17-51-168(87)64-70(125)23-12-46-149-119(136)137)101(183)154-62-98(179)172-55-21-37-91(172)116(198)161-78(31-5-10-44-147-105(187)83(59-95(132)176)165-114(196)89-35-19-53-170(89)66-72(127)25-14-48-151-121(140)141)108(190)160-79(38-39-99(180)181)109(191)157-74(100(182)153-61-97(178)155-85(68-201)117(199)200)28-2-7-41-144-102(184)80(56-92(129)173)162-111(193)86-32-16-50-167(86)63-69(124)22-11-45-148-118(134)135/h69-91,201H,1-68,123-128H2,(H2,129,173)(H2,130,174)(H2,131,175)(H2,132,176)(H2,133,177)(H,144,184)(H,145,185)(H,146,186)(H,147,187)(H,153,182)(H,154,183)(H,155,178)(H,156,188)(H,157,191)(H,158,189)(H,159,192)(H,160,190)(H,161,198)(H,162,193)(H,163,194)(H,164,195)(H,165,196)(H,166,197)(H,180,181)(H,199,200)(H4,134,135,148)(H4,136,137,149)(H4,138,139,150)(H4,140,141,151)(H4,142,143,152)/t69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81+,82-,83+,84-,85-,86-,87-,88-,89-,90-,91-/m0/s1

InChIKey

VMGGMCHXZAPVEL-PGYUCFGYSA-N

Compound name

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

Related CIDs

• CID 16130744