CID 16131518
Tgagggatctctagttacca-lys
Structural Information
- Molecular Formula
- C224H282N116O64
- SMILES
- CC1=CN(C(=O)NC1=O)CC(=O)N(CCNCCN(CC(=O)NC(=O)CN(CCNC(=O)CN(CCNC(=O)CN(CCNC(=O)CN(CCNC(=O)CN(CCNC(=O)CN(CCNC(=O)CN(CCNC(=O)CN(CCNC(=O)CN(CCNC(=O)CN(CCNC(=O)C)C(=O)CN2C=C(C(=O)NC2=O)C)C(=O)CN3C=NC4=C3N=C(NC4=O)N)C(=O)CN5C=NC6=C(N=CN=C65)N)C(=O)CN7C=NC8=C7N=C(NC8=O)N)C(=O)CN9C=NC1=C9N=C(NC1=O)N)C(=O)CN1C=NC2=C1N=C(NC2=O)N)C(=O)CN1C=NC2=C(N=CN=C21)N)C(=O)CN1C=C(C(=O)NC1=O)C)C(=O)CN1C=CC(=NC1=O)N)C(=O)CN1C=C(C(=O)NC1=O)C)C(=O)CN1C=CC(=NC1=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)NC(CCCCN)C(=O)O)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=C(N=CN=C21)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=NC2=C(N=CN=C21)N
- InChI
- InChI=1S/C224H282N116O64/c1-121-60-325(219(399)295-198(121)382)90-157(366)301(66-133(342)242-25-49-310(163(372)96-331-111-269-173-183(230)259-106-264-188(173)331)76-143(352)253-30-54-315(169(378)102-337-117-275-179-194(337)286-211(236)291-205(179)389)78-145(354)248-24-48-309(161(370)94-329-64-125(5)202(386)299-223(329)403)72-139(348)246-22-46-307(159(368)92-327-62-123(3)200(384)297-221(327)401)73-140(349)250-26-50-311(164(373)97-332-112-270-174-184(231)260-107-265-189(174)332)74-141(350)245-21-45-304(154(363)87-322-37-12-130(227)281-216(322)396)68-135(344)243-19-43-305(155(364)88-323-38-13-131(228)282-217(323)397)69-136(345)257-34-58-319(83-150(359)279-128(209(393)394)10-8-9-15-225)167(376)100-335-115-273-177-187(234)263-110-268-192(177)335)40-16-240-17-41-302(153(362)86-321-36-11-129(226)280-215(321)395)84-151(360)284-152(361)85-320(162(371)95-330-65-126(6)203(387)300-224(330)404)59-35-258-137(346)70-306(156(365)89-324-39-14-132(229)283-218(324)398)44-20-244-138(347)71-308(160(369)93-328-63-124(4)201(385)298-222(328)402)47-23-247-142(351)75-312(165(374)98-333-113-271-175-185(232)261-108-266-190(175)333)51-27-251-147(356)80-317(171(380)104-339-119-277-181-196(339)288-213(238)293-207(181)391)56-32-255-149(358)82-318(172(381)105-340-120-278-182-197(340)289-214(239)294-208(182)392)57-33-256-148(357)81-316(170(379)103-338-118-276-180-195(338)287-212(237)292-206(180)390)55-31-254-144(353)77-313(166(375)99-334-114-272-176-186(233)262-109-267-191(176)334)52-28-252-146(355)79-314(168(377)101-336-116-274-178-193(336)285-210(235)290-204(178)388)53-29-249-134(343)67-303(42-18-241-127(7)341)158(367)91-326-61-122(2)199(383)296-220(326)400/h11-14,36-39,60-65,106-120,128,240H,8-10,15-35,40-59,66-105,225H2,1-7H3,(H,241,341)(H,242,342)(H,243,344)(H,244,347)(H,245,350)(H,246,348)(H,247,351)(H,248,354)(H,249,343)(H,250,349)(H,251,356)(H,252,355)(H,253,352)(H,254,353)(H,255,358)(H,256,357)(H,257,345)(H,258,346)(H,279,359)(H,393,394)(H2,226,280,395)(H2,227,281,396)(H2,228,282,397)(H2,229,283,398)(H2,230,259,264)(H2,231,260,265)(H2,232,261,266)(H2,233,262,267)(H2,234,263,268)(H,284,360,361)(H,295,382,399)(H,296,383,400)(H,297,384,401)(H,298,385,402)(H,299,386,403)(H,300,387,404)(H3,235,285,290,388)(H3,236,286,291,389)(H3,237,287,292,390)(H3,238,288,293,391)(H3,239,289,294,392)
- InChIKey
- ZIDMBZUBCXGTCC-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-acetamidoethyl-[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-(6-aminopurin-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-(2-amino-6-oxo-1H-purin-9-yl)acetyl]amino]acetyl]amino]ethyl-[2-(6-aminopurin-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-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetyl]amino]-2-oxoethyl]-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]ethylamino]ethyl-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetyl]amino]ethyl-[2-(6-aminopurin-9-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-(6-aminopurin-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]-6-aminohexanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 5621.2453 | 311.0 |
[M+Na]+ | 5643.2272 | 311.0 |
[M-H]- | 5619.2307 | 311.0 |
[M+NH4]+ | 5638.2718 | 311.0 |
[M+K]+ | 5659.2012 | 311.0 |
[M+H-H2O]+ | 5603.2353 | 311.0 |
[M+HCOO]- | 5665.2362 | 311.0 |
[M+CH3COO]- | 5679.2519 | 311.0 |
[M+Na-2H]- | 5641.2127 | 311.0 |
[M]+ | 5620.2375 | 310.9 |
[M]- | 5620.2385 | 310.9 |
Literature stripe
Patent stripe
No patent data available for this compound.