Ac-tyr-gly-gly-ile-lys-lys-glu-ile-glu-ala-ile-lys-lys-glu-gln-glu-ala-ile-lys-lys-lys-ile-glu-ala-ile-glu-lys--glu-ile-glu--ala-h2

Structural Information

Molecular Formula

C₁₆₂H₂₇₇N₄₁O₅₀

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)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]([C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)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](CCCCN)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]([C@@H](C)CC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)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)NC(=O)CNC(=O)CNC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)C

InChI

InChI=1S/C162H277N41O50/c1-20-84(8)127(197-118(208)83-173-117(207)82-174-138(229)115(179-95(19)204)81-96-51-53-97(205)54-52-96)156(247)190-102(47-31-39-77-167)147(238)182-100(45-29-37-75-165)145(236)188-113(62-71-125(221)222)154(245)203-133(90(14)26-7)162(253)195-110(59-68-122(215)216)142(233)177-93(17)136(227)199-129(86(10)22-3)158(249)192-104(49-33-41-79-169)149(240)181-99(44-28-36-74-164)144(235)187-111(60-69-123(217)218)151(242)185-106(55-64-116(171)206)150(241)186-107(56-65-119(209)210)140(231)176-92(16)135(226)198-128(85(9)21-2)157(248)191-103(48-32-40-78-168)148(239)180-98(43-27-35-73-163)143(234)184-105(50-34-42-80-170)153(244)201-131(88(12)24-5)160(251)194-109(58-67-121(213)214)141(232)178-94(18)137(228)200-130(87(11)23-4)159(250)196-112(61-70-124(219)220)152(243)183-101(46-30-38-76-166)146(237)189-114(63-72-126(223)224)155(246)202-132(89(13)25-6)161(252)193-108(57-66-120(211)212)139(230)175-91(15)134(172)225/h51-54,84-94,98-115,127-133,205H,20-50,55-83,163-170H2,1-19H3,(H2,171,206)(H2,172,225)(H,173,207)(H,174,229)(H,175,230)(H,176,231)(H,177,233)(H,178,232)(H,179,204)(H,180,239)(H,181,240)(H,182,238)(H,183,243)(H,184,234)(H,185,242)(H,186,241)(H,187,235)(H,188,236)(H,189,237)(H,190,247)(H,191,248)(H,192,249)(H,193,252)(H,194,251)(H,195,253)(H,196,250)(H,197,208)(H,198,226)(H,199,227)(H,200,228)(H,201,244)(H,202,246)(H,203,245)(H,209,210)(H,211,212)(H,213,214)(H,215,216)(H,217,218)(H,219,220)(H,221,222)(H,223,224)/t84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,127-,128-,129-,130-,131-,132-,133-/m0/s1

InChIKey

KYRPNSGXPAWNET-PLSBSRQRSA-N

Compound name

(4S)-4-[[(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-[[2-[[2-[[(2S)-2-acetamido-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]-3-methylpentanoyl]amino]-6-aminohexanoyl]amino]-6-aminohexanoyl]amino]-4-carboxybutanoyl]amino]-3-methylpentanoyl]amino]-4-carboxybutanoyl]amino]propanoyl]amino]-3-methylpentanoyl]amino]-6-aminohexanoyl]amino]-6-aminohexanoyl]amino]-4-carboxybutanoyl]amino]-5-amino-5-oxopentanoyl]amino]-5-[[(2S)-1-[[(2S,3S)-1-[[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-3-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]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16130761