PFAS

全球PFAS筛查数据库

Glycine, N-methyl-N-[(phenylamino)thioxomethyl]-L-leucyl-L-valyl-N-methyl-L-leucyl-L-alanyl-D-alanyl-N-methyl-L-leucyl-N-methyl-L-leucyl-N-methyl-L-valyl-(2S,3R,4R,6E)-3-(acetyloxy)-4-methyl-2-(methylamino)-6-octenoyl-(2S)-2-aminobutanoyl-N-methyl-, methyl ester
Glycine, N-methyl-N-[(phenylamino)thioxomethyl]-L-leucyl-L-valyl-N-methyl-L-leucyl-L-alanyl-D-alanyl-N-methyl-L-leucyl-N-methyl-L-leucyl-N-methyl-L-valyl-(2S,3R,4R,6E)-3-(acetyloxy)-4-methyl-2-(methylamino)-6-octenoyl-(2S)-2-aminobutanoyl-N-methyl-, methyl ester
CAS号: 1038781-12-2
IUPAC名称: methyl (2S)-5-acetyloxy-2-[2-aminobutanoyl(methyl)amino]-6-methyl-4-(methylamino)-2-[3-methyl-2-[methyl-[4-methyl-2-[methyl-[4-methyl-2-[methyl-[2-[2-[[4-methyl-2-[methyl-[3-methyl-2-[[4-methyl-2-[methyl(phenylcarbamothioyl)amino]pentanoyl]amino]butanoyl]amino]pentanoyl]amino]propanoylamino]propanoyl]amino]pentanoyl]amino]pentanoyl]amino]butanoyl]-3-oxodec-8-enoate
分子式: C72H122N12O14S
分子量: 1411.9
InChI: InChI=1S/C72H122N12O14S/c1-27-29-33-46(15)59(98-49(18)85)57(74-19)60(86)72(70(96)97-26,84(25)66(92)51(73)28-2)61(87)58(45(13)14)83(24)68(94)55(39-43(9)10)81(22)67(93)54(38-42(7)8)80(21)65(91)48(17)76-62(88)47(16)75-63(89)52(36-40(3)4)79(20)69(95)56(44(11)12)78-64(90)53(37-41(5)6)82(23)71(99)77-50-34-31-30-32-35-50/h27,29-32,34-35,40-48,51-59,74H,28,33,36-39,73H2,1-26H3,(H,75,89)(H,76,88)(H,77,99)(H,78,90)/t46?,47?,48?,51?,52?,53?,54?,55?,56?,57?,58?,59?,72-/m0/s1
InChIKey: SOAZOGGCAIUXII-LCSFYGAQSA-N
SMILES: -
EINECS: CCC(C(=O)N(C)[C@@](C(=O)C(C(C(C)CC=CC)OC(=O)C)NC)(C(=O)C(C(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(C)NC(=O)C(C)NC(=O)C(CC(C)C)N(C)C(=O)C(C(C)C)NC(=O)C(CC(C)C)N(C)C(=S)NC1=CC=CC=C1)C(=O)OC)N
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