5(qpq)-tasp

Structural Information

Molecular Formula

C₁₂₂H₂₀₂N₄₀O₃₈S

SMILES

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

InChI

InChI=1S/C122H202N40O38S/c123-50-6-1-17-71(148-107(184)72(149-109(186)78(37-48-96(138)172)156-116(193)86-27-16-60-162(86)121(198)68(128)32-43-91(133)167)20-4-9-53-141-102(179)76(35-46-94(136)170)154-114(191)84-25-14-58-160(84)119(196)66(126)30-41-89(131)165)106(183)146-70(19-3-8-52-140-101(178)75(34-45-93(135)169)153-113(190)83-24-13-57-159(83)118(195)65(125)29-40-88(130)164)105(182)144-62-98(174)157-55-11-22-81(157)111(188)151-73(21-5-10-54-142-103(180)77(36-47-95(137)171)155-115(192)85-26-15-59-161(85)120(197)67(127)31-42-90(132)166)108(185)150-79(38-49-99(175)176)110(187)147-69(104(181)143-61-97(173)145-80(63-201)122(199)200)18-2-7-51-139-100(177)74(33-44-92(134)168)152-112(189)82-23-12-56-158(82)117(194)64(124)28-39-87(129)163/h64-86,201H,1-63,123-128H2,(H2,129,163)(H2,130,164)(H2,131,165)(H2,132,166)(H2,133,167)(H2,134,168)(H2,135,169)(H2,136,170)(H2,137,171)(H2,138,172)(H,139,177)(H,140,178)(H,141,179)(H,142,180)(H,143,181)(H,144,182)(H,145,173)(H,146,183)(H,147,187)(H,148,184)(H,149,186)(H,150,185)(H,151,188)(H,152,189)(H,153,190)(H,154,191)(H,155,192)(H,156,193)(H,175,176)(H,199,200)/t64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-/m0/s1

InChIKey

LEQNLYDITYYALD-IUUQTZDMSA-N

Compound name

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

Related CIDs

• CID 16130745