GP 3-Aprotinin.
Dataset description:
This dataset contains NMR spectra obtained for the sample -GP 3-Aprotinin date: 2022-06-13T18:43:38.000Z isFt: true name: GP 3-Aprotinin/1 phc0: 244.24 phc1: 0 type: NMR Spectrum DECIM:...
Source: GP 3-Aprotinin.
Chemical Info
| InChI | InChI=1S/C284H432N84O79S7/c1-21-144(9)222-271(439)337-174(68-46-105-309-282(300)301)239(407)340-187(120-160-77-85-164(374)86-78-160)251(419)341-185(116-156-55-29-24-30-56-156)250(418)342-188(121-161-79-87-165(375)88-80-161)252(420)346-191(123-208(291)378)246(414)322-149(14)230(398)326-168(62-35-39-98-285)234(402)319-146(11)227(395)314-132-215(385)324-181(113-141(3)4)247(415)354-199-137-452-453-138-200-263(431)336-179(97-112-448-20)242(410)331-176(70-48-107-311-284(304)305)244(412)363-226(154(19)372)274(442)358-197(233(401)316-129-212(382)312-130-213(383)318-151(16)278(446)447)135-449-451-139-201(355-253(421)186(117-157-57-31-25-32-58-157)344-256(424)195(127-220(393)394)350-267(435)204-72-50-109-366(204)275(443)167(289)61-43-102-306-279(294)295)265(433)339-182(114-142(5)6)248(416)338-180(93-96-218(389)390)276(444)368-111-52-74-206(368)277(445)367-110-51-73-205(367)268(436)349-189(122-162-81-89-166(376)90-82-162)259(427)362-224(152(17)370)269(437)317-133-216(386)365-108-49-71-203(365)266(434)357-202(264(432)333-169(63-36-40-99-286)235(403)320-148(13)229(397)328-175(69-47-106-310-283(302)303)243(411)360-223(145(10)22-2)272(440)361-222)140-454-450-136-198(325-214(384)131-313-211(381)128-315-232(400)183(119-159-75-83-163(373)84-76-159)351-270(438)221(143(7)8)359-258(426)190(118-158-59-33-26-34-60-158)352-273(441)225(153(18)371)364-245(413)177(335-262(199)430)91-94-207(290)377)261(429)334-172(66-44-103-307-280(296)297)236(404)321-147(12)228(396)327-170(64-37-41-100-287)237(405)330-173(67-45-104-308-281(298)299)238(406)345-192(124-209(292)379)255(423)347-193(125-210(293)380)254(422)343-184(115-155-53-27-23-28-54-155)249(417)332-171(65-38-42-101-288)240(408)353-196(134-369)260(428)323-150(15)231(399)329-178(92-95-217(387)388)241(409)348-194(126-219(391)392)257(425)356-200/h23-34,53-60,75-90,141-154,167-206,221-226,369-376H,21-22,35-52,61-74,91-140,285-289H2,1-20H3,(H2,290,377)(H2,291,378)(H2,292,379)(H2,293,380)(H,312,382)(H,313,381)(H,314,395)(H,315,400)(H,316,401)(H,317,437)(H,318,383)(H,319,402)(H,320,403)(H,321,404)(H,322,414)(H,323,428)(H,324,385)(H,325,384)(H,326,398)(H,327,396)(H,328,397)(H,329,399)(H,330,405)(H,331,410)(H,332,417)(H,333,432)(H,334,429)(H,335,430)(H,336,431)(H,337,439)(H,338,416)(H,339,433)(H,340,407)(H,341,419)(H,342,418)(H,343,422)(H,344,424)(H,345,406)(H,346,420)(H,347,423)(H,348,409)(H,349,436)(H,350,435)(H,351,438)(H,352,441)(H,353,408)(H,354,415)(H,355,421)(H,356,425)(H,357,434)(H,358,442)(H,359,426)(H,360,411)(H,361,440)(H,362,427)(H,363,412)(H,364,413)(H,387,388)(H,389,390)(H,391,392)(H,393,394)(H,446,447)(H4,294,295,306)(H4,296,297,307)(H4,298,299,308)(H4,300,301,309)(H4,302,303,310)(H4,304,305,311) |
|---|---|
| SMILES | CCC(C)C1NC(=O)C(CCCNC(=N)N)NC(=O)C(C)NC(=O)C(CCCCN)NC(=O)C2CSSCC3NC(=O)CNC(=O)CNC(=O)C(CC4=CC=C(O)C=C4)NC(=O)C(C(C)C)NC(=O)C(CC4=CC=CC=C4)NC(=O)C(C(C)O)NC(=O)C(CCC(N)=O)NC(=O)C(CSSCC(NC(=O)C(CC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(C)NC(=O)C(CO)NC(=O)C(CCCCN)NC(=O)C(CC4=CC=CC=C4)NC(=O)C(CC(N)=O)NC(=O)C(CC(N)=O)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCCN)NC(=O)C(C)NC(=O)C(CCCNC(=N)N)NC3=O)C(=O)NC(CCSC)C(=O)NC(CCCNC(=N)N)C(=O)NC(C(C)O)C(=O)NC(C(=O)NCC(=O)NCC(=O)NC(C)C(=O)O)CSSCC(NC(=O)C(CC3=CC=CC=C3)NC(=O)C(CC(=O)O)NC(=O)C3CCCN3C(=O)C(N)CCCNC(=N)N)C(=O)NC(CC(C)C)C(=O)NC(CCC(=O)O)C(=O)N3CCCC3C(=O)N3CCCC3C(=O)NC(CC3=CC=C(O)C=C3)C(=O)NC(C(C)O)C(=O)NCC(=O)N3CCCC3C(=O)N2)NC(=O)C(CC(C)C)NC(=O)CNC(=O)C(C)NC(=O)C(CCCCN)NC(=O)C(C)NC(=O)C(CC(N)=O)NC(=O)C(CC2=CC=C(O)C=C2)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CC2=CC=C(O)C=C2)NC(=O)C(CCCNC(=N)N)NC(=O)C(C(C)CC)NC1=O |
| InChI Key | ZPNFWUPYTFPOJU-UHFFFAOYSA-N |
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Additional Information
| Field | Value |
|---|---|
| Data last updated | February 3, 2025 |
| Metadata last updated | February 3, 2025 |
| Created | February 3, 2025 |
| Format | HTML |
| License | Attribution-NonCommercial 4.0 International |
| Id | 9742d9b0-aa61-4c56-9361-81502924546c |
| Package id | nmrxiv-d2427 |
| Resource type | HTML |
| State | active |