Hexadecatyrosine, n'-,o'-heptadecasulfate

Structural Information

Molecular Formula

C₁₄₄H₁₄₆N₁₆O₈₄S₁₇

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)NC(=O)[C@H](CC1=CC=C(C=C1)OS(=O)(=O)O)NS(=O)(=O)O)OS(=O)(=O)O

InChI

InChI=1S/C144H146N16O84S17/c161-129(145-114(66-82-3-35-98(36-4-82)230-247(184,185)186)130(162)147-116(68-84-7-39-100(40-8-84)232-249(190,191)192)132(164)149-118(70-86-11-43-102(44-12-86)234-251(196,197)198)134(166)151-120(72-88-15-47-104(48-16-88)236-253(202,203)204)136(168)153-122(74-90-19-51-106(52-20-90)238-255(208,209)210)138(170)155-124(76-92-23-55-108(56-24-92)240-257(214,215)216)140(172)157-126(78-94-27-59-110(60-28-94)242-259(220,221)222)142(174)159-128(144(176)177)80-96-31-63-112(64-32-96)244-261(226,227)228)113(65-81-1-33-97(34-2-81)229-246(181,182)183)146-131(163)115(67-83-5-37-99(38-6-83)231-248(187,188)189)148-133(165)117(69-85-9-41-101(42-10-85)233-250(193,194)195)150-135(167)119(71-87-13-45-103(46-14-87)235-252(199,200)201)152-137(169)121(73-89-17-49-105(50-18-89)237-254(205,206)207)154-139(171)123(75-91-21-53-107(54-22-91)239-256(211,212)213)156-141(173)125(77-93-25-57-109(58-26-93)241-258(217,218)219)158-143(175)127(160-245(178,179)180)79-95-29-61-111(62-30-95)243-260(223,224)225/h1-64,113-128,160H,65-80H2,(H,145,161)(H,146,163)(H,147,162)(H,148,165)(H,149,164)(H,150,167)(H,151,166)(H,152,169)(H,153,168)(H,154,171)(H,155,170)(H,156,173)(H,157,172)(H,158,175)(H,159,174)(H,176,177)(H,178,179,180)(H,181,182,183)(H,184,185,186)(H,187,188,189)(H,190,191,192)(H,193,194,195)(H,196,197,198)(H,199,200,201)(H,202,203,204)(H,205,206,207)(H,208,209,210)(H,211,212,213)(H,214,215,216)(H,217,218,219)(H,220,221,222)(H,223,224,225)(H,226,227,228)/t113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-/m0/s1

InChIKey

RNYYBWYBBHSGGC-UOYDPCFMSA-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-[[(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)propanoyl]amino]-3-(4-sulfooxyphenyl)propanoic acid

Related CIDs

• CID 16130563