5(.alpha.acrpk)-tasp

Structural Information

Molecular Formula

C₁₄₂H₂₅₂N₅₀O₃₃S

SMILES

CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)NCCCC[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCNC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(=N)N)NC(=O)C)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](CCCCN)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CCCNC(=N)N)NC(=O)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCNC(=O)[C@H](CCCCN)NC(=O)[C@@H]5CCCN5C(=O)[C@H](CCCNC(=N)N)NC(=O)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]6CCCN6C(=O)[C@H](CCCNC(=N)N)NC(=O)C

InChI

InChI=1S/C142H252N50O33S/c1-84(193)170-100(47-26-70-163-138(149)150)132(219)188-76-32-53-107(188)127(214)181-89(37-6-16-60-143)115(202)159-66-22-12-43-93(119(206)168-81-112(198)175-105(83-226)137(224)225)177-125(212)99(58-59-114(200)201)180-124(211)98(46-15-25-69-162-118(205)92(40-9-19-63-146)184-130(217)110-56-35-79-191(110)135(222)103(173-87(4)196)50-29-73-166-141(155)156)185-126(213)106-52-31-75-187(106)113(199)82-169-120(207)94(44-13-23-67-160-116(203)90(38-7-17-61-144)182-128(215)108-54-33-77-189(108)133(220)101(171-85(2)194)48-27-71-164-139(151)152)176-121(208)95(41-10-20-64-147)178-122(209)96(179-123(210)97(42-11-21-65-148)186-131(218)111-57-36-80-192(111)136(223)104(174-88(5)197)51-30-74-167-142(157)158)45-14-24-68-161-117(204)91(39-8-18-62-145)183-129(216)109-55-34-78-190(109)134(221)102(172-86(3)195)49-28-72-165-140(153)154/h89-111,226H,6-83,143-148H2,1-5H3,(H,159,202)(H,160,203)(H,161,204)(H,162,205)(H,168,206)(H,169,207)(H,170,193)(H,171,194)(H,172,195)(H,173,196)(H,174,197)(H,175,198)(H,176,208)(H,177,212)(H,178,209)(H,179,210)(H,180,211)(H,181,214)(H,182,215)(H,183,216)(H,184,217)(H,185,213)(H,186,218)(H,200,201)(H,224,225)(H4,149,150,163)(H4,151,152,164)(H4,153,154,165)(H4,155,156,166)(H4,157,158,167)/t89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-/m0/s1

InChIKey

OUNMMQUJNUAAID-CDKHRQAMSA-N

Compound name

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

Related CIDs

• CID 16130736