Ac-arg-met-lys-gln-ile-glu-asp-lys-ile-glu-glu-ile-glu-ser-lys-gln-lys-lys-ile-glu-asn-glu-ile-ala-arg-ile-lys-lys-leu--ile--nh2

Structural Information

Molecular Formula

C₁₆₃H₂₈₈N₄₆O₅₀S

SMILES

CC[C@H](C)[C@@H](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](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C

InChI

InChI=1S/C163H288N46O50S/c1-20-84(10)125(155(252)180-91(17)132(229)182-101(51-42-77-179-163(176)177)147(244)206-126(85(11)21-2)156(253)194-98(47-31-38-73-168)137(234)183-97(46-30-37-72-167)138(235)199-111(79-83(8)9)153(250)209-131(161(258)259)90(16)26-7)203-150(247)109(59-67-123(225)226)192-151(248)112(80-117(173)214)200-141(238)105(55-63-119(217)218)196-158(255)128(87(13)23-4)204-145(242)99(48-32-39-74-169)186-134(231)94(43-27-34-69-164)184-139(236)102(52-60-115(171)212)189-136(233)96(45-29-36-71-166)188-154(251)114(82-210)202-143(240)107(57-65-121(221)222)198-160(257)130(89(15)25-6)208-149(246)108(58-66-122(223)224)191-140(237)104(54-62-118(215)216)195-157(254)127(86(12)22-3)205-146(243)100(49-33-40-75-170)187-152(249)113(81-124(227)228)201-142(239)106(56-64-120(219)220)197-159(256)129(88(14)24-5)207-148(245)103(53-61-116(172)213)190-135(232)95(44-28-35-70-165)185-144(241)110(68-78-260-19)193-133(230)93(181-92(18)211)50-41-76-178-162(174)175/h83-91,93-114,125-131,210H,20-82,164-170H2,1-19H3,(H2,171,212)(H2,172,213)(H2,173,214)(H,180,252)(H,181,211)(H,182,229)(H,183,234)(H,184,236)(H,185,241)(H,186,231)(H,187,249)(H,188,251)(H,189,233)(H,190,232)(H,191,237)(H,192,248)(H,193,230)(H,194,253)(H,195,254)(H,196,255)(H,197,256)(H,198,257)(H,199,235)(H,200,238)(H,201,239)(H,202,240)(H,203,247)(H,204,242)(H,205,243)(H,206,244)(H,207,245)(H,208,246)(H,209,250)(H,215,216)(H,217,218)(H,219,220)(H,221,222)(H,223,224)(H,225,226)(H,227,228)(H,258,259)(H4,174,175,178)(H4,176,177,179)/t84-,85-,86-,87-,88-,89-,90-,91-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,125-,126-,127-,128-,129-,130-,131-/m0/s1

InChIKey

NKGVOLNRQLJFOY-HJILPHEPSA-N

Compound name

(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-5-carbamimidamidopentanoyl]amino]-4-methylsulfanylbutanoyl]amino]-6-aminohexanoyl]amino]-5-amino-5-oxopentanoyl]amino]-3-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]amino]-3-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-3-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-3-hydroxypropanoyl]amino]-6-aminohexanoyl]amino]-5-amino-5-oxopentanoyl]amino]-6-aminohexanoyl]amino]-6-aminohexanoyl]amino]-3-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-4-amino-4-oxobutanoyl]amino]-4-carboxybutanoyl]amino]-3-methylpentanoyl]amino]propanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-methylpentanoyl]amino]-6-aminohexanoyl]amino]-6-aminohexanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoic acid

Related CIDs

• CID 16130758