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

compound 2d structure
1
Annotation Hits

1
References

0
Patents

5707.151 Da
Monoisotopic Mass

-46.5
XlogP (predicted)

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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.