Nh2-thr-thr-trp-glu-ala-trp-asp-arg-ala-ile-ala-glu-tyr-ala-ala-arg-ile-glu-ala-leu-ile-arg-ala-ala-gln-glu-gln-gln-glu-lys-asn-glu-ala-cooh

Structural Information

Molecular Formula

C₁₆₇H₂₅₉N₄₉O₅₅

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC4=CNC5=CC=CC=C54)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](C)O)N

InChI

InChI=1S/C167H259N49O55/c1-20-75(6)128(213-139(245)85(16)190-140(246)98(37-29-63-180-165(174)175)198-157(263)115(71-126(236)237)211-155(261)112(68-90-72-183-95-34-25-23-32-93(90)95)208-138(244)83(14)188-142(248)104(47-56-120(224)225)203-154(260)113(69-91-73-184-96-35-26-24-33-94(91)96)212-163(269)131(88(19)218)216-159(265)127(173)87(18)217)160(266)192-84(15)136(242)196-107(50-59-123(230)231)151(257)209-111(67-89-40-42-92(219)43-41-89)153(259)191-79(10)133(239)185-80(11)134(240)194-100(39-31-65-182-167(178)179)152(258)214-129(76(7)21-2)162(268)206-106(49-58-122(228)229)143(249)189-82(13)137(243)207-110(66-74(4)5)158(264)215-130(77(8)22-3)161(267)205-99(38-30-64-181-166(176)177)141(247)187-78(9)132(238)186-81(12)135(241)195-101(44-53-116(169)220)146(252)201-109(52-61-125(234)235)150(256)200-102(45-54-117(170)221)147(253)199-103(46-55-118(171)222)148(254)202-108(51-60-124(232)233)149(255)197-97(36-27-28-62-168)145(251)210-114(70-119(172)223)156(262)204-105(48-57-121(226)227)144(250)193-86(17)164(270)271/h23-26,32-35,40-43,72-88,97-115,127-131,183-184,217-219H,20-22,27-31,36-39,44-71,168,173H2,1-19H3,(H2,169,220)(H2,170,221)(H2,171,222)(H2,172,223)(H,185,239)(H,186,238)(H,187,247)(H,188,248)(H,189,249)(H,190,246)(H,191,259)(H,192,266)(H,193,250)(H,194,240)(H,195,241)(H,196,242)(H,197,255)(H,198,263)(H,199,253)(H,200,256)(H,201,252)(H,202,254)(H,203,260)(H,204,262)(H,205,267)(H,206,268)(H,207,243)(H,208,244)(H,209,257)(H,210,251)(H,211,261)(H,212,269)(H,213,245)(H,214,258)(H,215,264)(H,216,265)(H,224,225)(H,226,227)(H,228,229)(H,230,231)(H,232,233)(H,234,235)(H,236,237)(H,270,271)(H4,174,175,180)(H4,176,177,181)(H4,178,179,182)/t75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87+,88+,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,127-,128-,129-,130-,131-/m0/s1

InChIKey

ZRJOVMKFYMJQII-CUJZJAGYSA-N

Compound name

(4S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-4-amino-1-[[(2S)-4-carboxy-1-[[(1S)-1-carboxyethyl]amino]-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-4-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-carboxybutanoyl]amino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-carboxypropanoyl]amino]-5-carbamimidamidopentanoyl]amino]propanoyl]amino]-3-methylpentanoyl]amino]propanoyl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16134178