CID 16131516
Gtccctgttcgggcgccac-tg-3'oh
Structural Information
- Molecular Formula
- C223H280N113O71P
- SMILES
- CC1=CN(C(=O)NC1=O)CC(=O)N(CCNC(=O)CN(CCNC(=O)C)C(=O)CN2C=NC3=C2N=C(NC3=O)N)CC(=O)NCCN(CC(=O)NCCN(CC(=O)NCCN(CC(=O)NCCN(CC(=O)NCCN(CC(=O)NCCN(CC(=O)NCCN(CC(=O)NCCN(CC(=O)NCCN(CC(=O)NCCN(CC(=O)NCCN(CC(=O)NCCN(CC(=O)NCCN(CC(=O)NCCN(CC(=O)NCCN(CC(=O)NCCN(CC(=O)NCCN(CC(=O)NCC4C(CC(O4)N5C=C(C(=O)NC5=O)C)OP(=O)(O)OCC6C(CC(O6)N7C=NC8=C7N=C(NC8=O)N)O)C(=O)CN9C=CC(=NC9=O)N)C(=O)CN1C=NC2=C(N=CN=C21)N)C(=O)CN1C=CC(=NC1=O)N)C(=O)CN1C=CC(=NC1=O)N)C(=O)CN1C=NC2=C1N=C(NC2=O)N)C(=O)CN1C=CC(=NC1=O)N)C(=O)CN1C=NC2=C1N=C(NC2=O)N)C(=O)CN1C=NC2=C1N=C(NC2=O)N)C(=O)CN1C=NC2=C1N=C(NC2=O)N)C(=O)CN1C=CC(=NC1=O)N)C(=O)CN1C=C(C(=O)NC1=O)C)C(=O)CN1C=C(C(=O)NC1=O)C)C(=O)CN1C=NC2=C1N=C(NC2=O)N)C(=O)CN1C=C(C(=O)NC1=O)C)C(=O)CN1C=CC(=NC1=O)N)C(=O)CN1C=CC(=NC1=O)N)C(=O)CN1C=CC(=NC1=O)N
- InChI
- InChI=1S/C223H280N113O71P/c1-117-64-324(219(397)292-192(117)377)96-162(366)305(50-23-248-135(339)69-297(42-15-240-122(6)337)167(371)101-329-110-263-176-185(329)278-204(233)285-197(176)382)77-143(347)244-19-46-301(157(361)91-319-37-10-130(227)273-214(319)392)71-137(341)241-16-43-298(154(358)88-316-34-7-127(224)270-211(316)389)70-136(340)242-17-44-299(155(359)89-317-35-8-128(225)271-212(317)390)73-139(343)249-24-51-306(163(367)97-325-65-118(2)193(378)293-220(325)398)80-146(350)255-30-57-312(170(374)104-332-113-266-179-188(332)281-207(236)288-200(179)385)84-150(354)251-26-53-308(165(369)99-327-67-120(4)195(380)295-222(327)400)79-145(349)250-25-52-307(164(368)98-326-66-119(3)194(379)294-221(326)399)78-144(348)245-20-47-302(158(362)92-320-38-11-131(228)274-215(320)393)75-141(345)254-29-56-311(169(373)103-331-112-265-178-187(331)280-206(235)287-199(178)384)85-151(355)257-32-59-314(172(376)106-334-115-268-181-190(334)283-209(238)290-202(181)387)86-152(356)256-31-58-313(171(375)105-333-114-267-180-189(333)282-208(237)289-201(180)386)83-149(353)247-22-49-304(160(364)94-322-40-13-133(230)276-217(322)395)76-142(346)253-28-55-310(168(372)102-330-111-264-177-186(330)279-205(234)286-198(177)383)82-148(352)246-21-48-303(159(363)93-321-39-12-132(229)275-216(321)394)72-138(342)243-18-45-300(156(360)90-318-36-9-129(226)272-213(318)391)74-140(344)252-27-54-309(166(370)100-328-109-262-175-183(232)260-108-261-184(175)328)81-147(351)258-33-60-315(161(365)95-323-41-14-134(231)277-218(323)396)87-153(357)259-63-125-124(62-174(405-125)335-68-121(5)196(381)296-223(335)401)407-408(402,403)404-107-126-123(338)61-173(406-126)336-116-269-182-191(336)284-210(239)291-203(182)388/h7-14,34-41,64-68,108-116,123-126,173-174,338H,15-33,42-63,69-107H2,1-6H3,(H,240,337)(H,241,341)(H,242,340)(H,243,342)(H,244,347)(H,245,348)(H,246,352)(H,247,353)(H,248,339)(H,249,343)(H,250,349)(H,251,354)(H,252,344)(H,253,346)(H,254,345)(H,255,350)(H,256,356)(H,257,355)(H,258,351)(H,259,357)(H,402,403)(H2,224,270,389)(H2,225,271,390)(H2,226,272,391)(H2,227,273,392)(H2,228,274,393)(H2,229,275,394)(H2,230,276,395)(H2,231,277,396)(H2,232,260,261)(H,292,377,397)(H,293,378,398)(H,294,379,399)(H,295,380,400)(H,296,381,401)(H3,233,278,285,382)(H3,234,279,286,383)(H3,235,280,287,384)(H3,236,281,288,385)(H3,237,282,289,386)(H3,238,283,290,387)(H3,239,284,291,388)
- InChIKey
- HTHGTFBTRPGHMI-UHFFFAOYSA-N
- Compound name
- [2-[[[2-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-acetamidoethyl-[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]amino]acetyl]amino]ethyl-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetyl]amino]ethyl-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]acetyl]amino]ethyl-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]acetyl]amino]ethyl-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]acetyl]amino]ethyl-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetyl]amino]ethyl-[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]amino]acetyl]amino]ethyl-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetyl]amino]ethyl-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetyl]amino]ethyl-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]acetyl]amino]ethyl-[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]amino]acetyl]amino]ethyl-[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]amino]acetyl]amino]ethyl-[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]amino]acetyl]amino]ethyl-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]acetyl]amino]ethyl-[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]amino]acetyl]amino]ethyl-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]acetyl]amino]ethyl-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]acetyl]amino]ethyl-[2-(6-aminopurin-9-yl)acetyl]amino]acetyl]amino]ethyl-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]acetyl]amino]methyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] [5-(2-amino-6-oxo-1H-purin-9-yl)-3-hydroxyoxolan-2-yl]methyl hydrogen phosphate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 5708.1583 | 311.0 |
[M+Na]+ | 5730.1402 | 311.0 |
[M-H]- | 5706.1437 | 311.0 |
[M+NH4]+ | 5725.1848 | 311.0 |
[M+K]+ | 5746.1142 | 311.0 |
[M+H-H2O]+ | 5690.1483 | 311.0 |
[M+HCOO]- | 5752.1492 | 311.0 |
[M+CH3COO]- | 5766.1649 | 311.0 |
[M+Na-2H]- | 5728.1257 | 311.0 |
[M]+ | 5707.1505 | 310.9 |
[M]- | 5707.1515 | 310.9 |
Literature stripe
Patent stripe
No patent data available for this compound.