Tetradecatyrosine, n'-,o'-pentadecasulfate

Structural Information

Molecular Formula

C₁₂₆H₁₂₈N₁₄O₇₄S₁₅

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)NS(=O)(=O)O)OS(=O)(=O)O

InChI

InChI=1S/C126H128N14O74S15/c141-113(127-100(58-72-3-31-86(32-4-72)202-217(162,163)164)114(142)129-102(60-74-7-35-88(36-8-74)204-219(168,169)170)116(144)131-104(62-76-11-39-90(40-12-76)206-221(174,175)176)118(146)133-106(64-78-15-43-92(44-16-78)208-223(180,181)182)120(148)135-108(66-80-19-47-94(48-20-80)210-225(186,187)188)122(150)137-110(68-82-23-51-96(52-24-82)212-227(192,193)194)124(152)139-112(126(154)155)70-84-27-55-98(56-28-84)214-229(198,199)200)99(57-71-1-29-85(30-2-71)201-216(159,160)161)128-115(143)101(59-73-5-33-87(34-6-73)203-218(165,166)167)130-117(145)103(61-75-9-37-89(38-10-75)205-220(171,172)173)132-119(147)105(63-77-13-41-91(42-14-77)207-222(177,178)179)134-121(149)107(65-79-17-45-93(46-18-79)209-224(183,184)185)136-123(151)109(67-81-21-49-95(50-22-81)211-226(189,190)191)138-125(153)111(140-215(156,157)158)69-83-25-53-97(54-26-83)213-228(195,196)197/h1-56,99-112,140H,57-70H2,(H,127,141)(H,128,143)(H,129,142)(H,130,145)(H,131,144)(H,132,147)(H,133,146)(H,134,149)(H,135,148)(H,136,151)(H,137,150)(H,138,153)(H,139,152)(H,154,155)(H,156,157,158)(H,159,160,161)(H,162,163,164)(H,165,166,167)(H,168,169,170)(H,171,172,173)(H,174,175,176)(H,177,178,179)(H,180,181,182)(H,183,184,185)(H,186,187,188)(H,189,190,191)(H,192,193,194)(H,195,196,197)(H,198,199,200)/t99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-/m0/s1

InChIKey

KOMXKXSSWBXCFS-VFRDFMADSA-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-(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)propanoic acid

Related CIDs

• CID 16130561