Pentadecatyrosine, n'-,o'-hexadecasulfate

Structural Information

Molecular Formula

C₁₃₅H₁₃₇N₁₅O₇₉S₁₆

SMILES

C1=CC(=CC=C1C[C@@H](C(=O)N[C@@H](CC2=CC=C(C=C2)OS(=O)(=O)O)C(=O)N[C@@H](CC3=CC=C(C=C3)OS(=O)(=O)O)C(=O)N[C@@H](CC4=CC=C(C=C4)OS(=O)(=O)O)C(=O)N[C@@H](CC5=CC=C(C=C5)OS(=O)(=O)O)C(=O)N[C@@H](CC6=CC=C(C=C6)OS(=O)(=O)O)C(=O)O)NC(=O)[C@H](CC7=CC=C(C=C7)OS(=O)(=O)O)NC(=O)[C@H](CC8=CC=C(C=C8)OS(=O)(=O)O)NC(=O)[C@H](CC9=CC=C(C=C9)OS(=O)(=O)O)NC(=O)[C@H](CC1=CC=C(C=C1)OS(=O)(=O)O)NC(=O)[C@H](CC1=CC=C(C=C1)OS(=O)(=O)O)NC(=O)[C@H](CC1=CC=C(C=C1)OS(=O)(=O)O)NC(=O)[C@H](CC1=CC=C(C=C1)OS(=O)(=O)O)NC(=O)[C@H](CC1=CC=C(C=C1)OS(=O)(=O)O)NC(=O)[C@H](CC1=CC=C(C=C1)OS(=O)(=O)O)NS(=O)(=O)O)OS(=O)(=O)O

InChI

InChI=1S/C135H137N15O79S16/c151-121(137-108(63-78-5-35-93(36-6-78)217-233(176,177)178)123(153)139-110(65-80-9-39-95(40-10-80)219-235(182,183)184)125(155)141-112(67-82-13-43-97(44-14-82)221-237(188,189)190)127(157)143-114(69-84-17-47-99(48-18-84)223-239(194,195)196)129(159)145-116(71-86-21-51-101(52-22-86)225-241(200,201)202)131(161)147-118(73-88-25-55-103(56-26-88)227-243(206,207)208)133(163)149-120(135(165)166)75-90-29-59-105(60-30-90)229-245(212,213)214)106(61-76-1-31-91(32-2-76)215-231(170,171)172)136-122(152)107(62-77-3-33-92(34-4-77)216-232(173,174)175)138-124(154)109(64-79-7-37-94(38-8-79)218-234(179,180)181)140-126(156)111(66-81-11-41-96(42-12-81)220-236(185,186)187)142-128(158)113(68-83-15-45-98(46-16-83)222-238(191,192)193)144-130(160)115(70-85-19-49-100(50-20-85)224-240(197,198)199)146-132(162)117(72-87-23-53-102(54-24-87)226-242(203,204)205)148-134(164)119(150-230(167,168)169)74-89-27-57-104(58-28-89)228-244(209,210)211/h1-60,106-120,150H,61-75H2,(H,136,152)(H,137,151)(H,138,154)(H,139,153)(H,140,156)(H,141,155)(H,142,158)(H,143,157)(H,144,160)(H,145,159)(H,146,162)(H,147,161)(H,148,164)(H,149,163)(H,165,166)(H,167,168,169)(H,170,171,172)(H,173,174,175)(H,176,177,178)(H,179,180,181)(H,182,183,184)(H,185,186,187)(H,188,189,190)(H,191,192,193)(H,194,195,196)(H,197,198,199)(H,200,201,202)(H,203,204,205)(H,206,207,208)(H,209,210,211)(H,212,213,214)/t106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-/m0/s1

InChIKey

YDONWWPVRHOXOZ-NGFHUVHHSA-N

Compound name

(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-(sulfoamino)-3-(4-sulfooxyphenyl)propanoyl]amino]-3-(4-sulfooxyphenyl)propanoyl]amino]-3-(4-sulfooxyphenyl)propanoyl]amino]-3-(4-sulfooxyphenyl)propanoyl]amino]-3-(4-sulfooxyphenyl)propanoyl]amino]-3-(4-sulfooxyphenyl)propanoyl]amino]-3-(4-sulfooxyphenyl)propanoyl]amino]-3-(4-sulfooxyphenyl)propanoyl]amino]-3-(4-sulfooxyphenyl)propanoyl]amino]-3-(4-sulfooxyphenyl)propanoyl]amino]-3-(4-sulfooxyphenyl)propanoyl]amino]-3-(4-sulfooxyphenyl)propanoyl]amino]-3-(4-sulfooxyphenyl)propanoyl]amino]-3-(4-sulfooxyphenyl)propanoyl]amino]-3-(4-sulfooxyphenyl)propanoic acid

Related CIDs

• CID 16130562