Rqllsgivqqqnnllraieaqqhllqk-(16-hexadecanoic acid)

Structural Information

Molecular Formula

C₁₅₂H₂₆₅N₄₅O₄₁

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)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](C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCCN)C(=O)CCCCCCCCCCCCCCCC(=O)O)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCNC(=N)N)N

InChI

InChI=1S/C152H265N45O41/c1-21-84(17)124(195-120(209)74-171-129(217)109(75-198)194-144(232)105(69-82(13)14)188-141(229)102(66-79(7)8)185-136(224)93(46-54-112(156)201)177-128(216)89(154)40-38-62-169-151(164)165)150(238)196-123(83(15)16)148(236)183-98(51-59-117(161)206)135(223)179-95(48-56-114(158)203)134(222)181-97(50-58-116(160)205)138(226)192-107(71-118(162)207)147(235)193-108(72-119(163)208)146(234)190-104(68-81(11)12)143(231)186-100(64-77(3)4)139(227)178-91(42-39-63-170-152(166)167)130(218)174-87(20)127(215)197-125(85(18)22-2)149(237)184-99(52-60-122(212)213)131(219)173-86(19)126(214)176-92(45-53-111(155)200)133(221)180-96(49-57-115(159)204)137(225)191-106(70-88-73-168-76-172-88)145(233)189-103(67-80(9)10)142(230)187-101(65-78(5)6)140(228)182-94(47-55-113(157)202)132(220)175-90(41-36-37-61-153)110(199)43-34-32-30-28-26-24-23-25-27-29-31-33-35-44-121(210)211/h73,76-87,89-109,123-125,198H,21-72,74-75,153-154H2,1-20H3,(H2,155,200)(H2,156,201)(H2,157,202)(H2,158,203)(H2,159,204)(H2,160,205)(H2,161,206)(H2,162,207)(H2,163,208)(H,168,172)(H,171,217)(H,173,219)(H,174,218)(H,175,220)(H,176,214)(H,177,216)(H,178,227)(H,179,223)(H,180,221)(H,181,222)(H,182,228)(H,183,236)(H,184,237)(H,185,224)(H,186,231)(H,187,230)(H,188,229)(H,189,233)(H,190,234)(H,191,225)(H,192,226)(H,193,235)(H,194,232)(H,195,209)(H,196,238)(H,197,215)(H,210,211)(H,212,213)(H4,164,165,169)(H4,166,167,170)/t84-,85-,86-,87-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,123-,124-,125-/m0/s1

InChIKey

ACSKPSMKJGXRDS-QQUVBSQJSA-N

Compound name

(18S)-22-amino-18-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-4-amino-2-[[(2S)-5-amino-2-[[(2S)-5-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S,3S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-amino-5-carbamimidamidopentanoyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]-3-methylpentanoyl]amino]-3-methylbutanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]-4-oxobutanoyl]amino]-4-oxobutanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]propanoyl]amino]-3-methylpentanoyl]amino]-4-carboxybutanoyl]amino]propanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoyl]amino]-17-oxodocosanoic acid

Related CIDs

• CID 86575200