Heptadecatyrosine, n'-,o'-octadecasulfate

Structural Information

Molecular Formula

C₁₅₃H₁₅₅N₁₇O₈₉S₁₈

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)N[C@@H](CC7=CC=C(C=C7)OS(=O)(=O)O)C(=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)NC(=O)[C@H](CC1=CC=C(C=C1)OS(=O)(=O)O)NS(=O)(=O)O)OS(=O)(=O)O

InChI

InChI=1S/C153H155N17O89S18/c171-137(155-122(71-88-5-39-105(40-6-88)245-263(198,199)200)139(173)157-124(73-90-9-43-107(44-10-90)247-265(204,205)206)141(175)159-126(75-92-13-47-109(48-14-92)249-267(210,211)212)143(177)161-128(77-94-17-51-111(52-18-94)251-269(216,217)218)145(179)163-130(79-96-21-55-113(56-22-96)253-271(222,223)224)147(181)165-132(81-98-25-59-115(60-26-98)255-273(228,229)230)149(183)167-134(83-100-29-63-117(64-30-100)257-275(234,235)236)151(185)169-136(153(187)188)85-102-33-67-119(68-34-102)259-277(240,241)242)120(69-86-1-35-103(36-2-86)243-261(192,193)194)154-138(172)121(70-87-3-37-104(38-4-87)244-262(195,196)197)156-140(174)123(72-89-7-41-106(42-8-89)246-264(201,202)203)158-142(176)125(74-91-11-45-108(46-12-91)248-266(207,208)209)160-144(178)127(76-93-15-49-110(50-16-93)250-268(213,214)215)162-146(180)129(78-95-19-53-112(54-20-95)252-270(219,220)221)164-148(182)131(80-97-23-57-114(58-24-97)254-272(225,226)227)166-150(184)133(82-99-27-61-116(62-28-99)256-274(231,232)233)168-152(186)135(170-260(189,190)191)84-101-31-65-118(66-32-101)258-276(237,238)239/h1-68,120-136,170H,69-85H2,(H,154,172)(H,155,171)(H,156,174)(H,157,173)(H,158,176)(H,159,175)(H,160,178)(H,161,177)(H,162,180)(H,163,179)(H,164,182)(H,165,181)(H,166,184)(H,167,183)(H,168,186)(H,169,185)(H,187,188)(H,189,190,191)(H,192,193,194)(H,195,196,197)(H,198,199,200)(H,201,202,203)(H,204,205,206)(H,207,208,209)(H,210,211,212)(H,213,214,215)(H,216,217,218)(H,219,220,221)(H,222,223,224)(H,225,226,227)(H,228,229,230)(H,231,232,233)(H,234,235,236)(H,237,238,239)(H,240,241,242)/t120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-/m0/s1

InChIKey

HMQOUUBTFGZQDE-YPSAMTQXSA-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-[[(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)propanoyl]amino]-3-(4-sulfooxyphenyl)propanoic acid

Related CIDs

• CID 16130564