CID 16131517

Gtccctgttcgggcgccactg-lys

Structural Information

Molecular Formula
C231H294N118O70
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)NCCN(CC(=O)NCCN(CC(=O)NC(CCCCN)C(=O)O)C(=O)CN4C=NC5=C4N=C(NC5=O)N)C(=O)CN6C=C(C(=O)NC6=O)C)C(=O)CN7C=CC(=NC7=O)N)C(=O)CN8C=NC9=C(N=CN=C98)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/C231H294N118O70/c1-125-69-337(227(415)303-199(125)393)103-169(380)317(57-28-258-140(351)74-308(48-19-249-130(6)350)175(386)109-343-118-273-183-192(343)289-212(242)296-204(183)398)83-149(360)253-23-52-312(164(375)98-332-43-13-135(236)284-222(332)410)76-142(353)250-20-49-309(161(372)95-329-40-10-132(233)281-219(329)407)75-141(352)251-21-50-310(162(373)96-330-41-11-133(234)282-220(330)408)78-144(355)259-29-58-318(170(381)104-338-70-126(2)200(394)304-228(338)416)86-152(363)266-36-65-325(178(389)112-346-121-276-186-195(346)292-215(245)299-207(186)401)91-157(368)262-32-61-320(172(383)106-340-72-128(4)202(396)306-230(340)418)85-151(362)261-31-60-319(171(382)105-339-71-127(3)201(395)305-229(339)417)84-150(361)254-24-53-313(165(376)99-333-44-14-136(237)285-223(333)411)81-147(358)265-35-64-324(177(388)111-345-120-275-185-194(345)291-214(244)298-206(185)400)92-158(369)268-38-67-327(180(391)114-348-123-278-188-197(348)294-217(247)301-209(188)403)93-159(370)267-37-66-326(179(390)113-347-122-277-187-196(347)293-216(246)300-208(187)402)90-156(367)257-27-56-316(168(379)102-336-47-17-139(240)288-226(336)414)82-148(359)264-34-63-323(176(387)110-344-119-274-184-193(344)290-213(243)297-205(184)399)89-155(366)256-26-55-314(166(377)100-334-45-15-137(238)286-224(334)412)77-143(354)252-22-51-311(163(374)97-331-42-12-134(235)283-221(331)409)80-146(357)263-33-62-322(174(385)108-342-117-272-182-190(241)270-116-271-191(182)342)88-154(365)255-25-54-315(167(378)101-335-46-16-138(239)287-225(335)413)79-145(356)260-30-59-321(173(384)107-341-73-129(5)203(397)307-231(341)419)87-153(364)269-39-68-328(94-160(371)280-131(211(405)406)9-7-8-18-232)181(392)115-349-124-279-189-198(349)295-218(248)302-210(189)404/h10-17,40-47,69-73,116-124,131H,7-9,18-39,48-68,74-115,232H2,1-6H3,(H,249,350)(H,250,353)(H,251,352)(H,252,354)(H,253,360)(H,254,361)(H,255,365)(H,256,366)(H,257,367)(H,258,351)(H,259,355)(H,260,356)(H,261,362)(H,262,368)(H,263,357)(H,264,359)(H,265,358)(H,266,363)(H,267,370)(H,268,369)(H,269,364)(H,280,371)(H,405,406)(H2,233,281,407)(H2,234,282,408)(H2,235,283,409)(H2,236,284,410)(H2,237,285,411)(H2,238,286,412)(H2,239,287,413)(H2,240,288,414)(H2,241,270,271)(H,303,393,415)(H,304,394,416)(H,305,395,417)(H,306,396,418)(H,307,397,419)(H3,242,289,296,398)(H3,243,290,297,399)(H3,244,291,298,400)(H3,245,292,299,401)(H3,246,293,300,402)(H3,247,294,301,403)(H3,248,295,302,404)
InChIKey
PVHJCBCGMYMWOJ-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-[[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]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]-6-aminohexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

5840.307 Da
Monoisotopic Mass

-49.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 5841.3143 311.0
[M+Na]+ 5863.2962 311.0
[M-H]- 5839.2997 311.0
[M+NH4]+ 5858.3408 311.0
[M+K]+ 5879.2702 311.0
[M+H-H2O]+ 5823.3043 311.0
[M+HCOO]- 5885.3052 311.0
[M+CH3COO]- 5899.3209 311.0
[M+Na-2H]- 5861.2817 311.1
[M]+ 5840.3065 311.0
[M]- 5840.3075 311.0
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.