Plg0206

Structural Information

Molecular Formula

C₁₅₁H₂₆₀N₆₆O₂₅

SMILES

CC(C)[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC5=CNC6=CC=CC=C65)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)N

InChI

InChI=1S/C151H260N66O25/c1-74(2)107(210-124(227)100(51-32-64-188-148(171)172)198-118(221)97(48-29-61-185-145(165)166)201-131(234)108(75(3)4)213-127(230)104(68-82-71-192-89-40-20-17-36-85(82)89)207-121(224)92(43-24-56-180-140(155)156)195-115(218)88(152)39-23-55-179-139(153)154)130(233)200-95(46-27-59-183-143(161)162)116(219)196-93(44-25-57-181-141(157)158)122(225)208-105(69-83-72-193-90-41-21-18-37-86(83)90)128(231)214-109(76(5)6)132(235)202-98(49-30-62-186-146(167)168)119(222)199-101(52-33-65-189-149(173)174)125(228)211-113(80(13)14)136(239)217-112(79(11)12)135(238)205-102(53-34-66-190-150(175)176)126(229)212-114(81(15)16)137(240)216-111(78(9)10)134(237)203-96(47-28-60-184-144(163)164)117(220)197-94(45-26-58-182-142(159)160)123(226)209-106(70-84-73-194-91-42-22-19-38-87(84)91)129(232)215-110(77(7)8)133(236)204-99(50-31-63-187-147(169)170)120(223)206-103(138(241)242)54-35-67-191-151(177)178/h17-22,36-38,40-42,71-81,88,92-114,192-194H,23-35,39,43-70,152H2,1-16H3,(H,195,218)(H,196,219)(H,197,220)(H,198,221)(H,199,222)(H,200,233)(H,201,234)(H,202,235)(H,203,237)(H,204,236)(H,205,238)(H,206,223)(H,207,224)(H,208,225)(H,209,226)(H,210,227)(H,211,228)(H,212,229)(H,213,230)(H,214,231)(H,215,232)(H,216,240)(H,217,239)(H,241,242)(H4,153,154,179)(H4,155,156,180)(H4,157,158,181)(H4,159,160,182)(H4,161,162,183)(H4,163,164,184)(H4,165,166,185)(H4,167,168,186)(H4,169,170,187)(H4,171,172,188)(H4,173,174,189)(H4,175,176,190)(H4,177,178,191)/t88-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-/m0/s1

InChIKey

IPTOEBOJTUAETA-GBIRDKSFSA-N

Compound name

(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methylbutanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-methylbutanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methylbutanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methylbutanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoic acid

Related CIDs

• CID 16152467