paclitaxel trevatide

More details:

• Systematic name

• SMILES

  CC1=C2[C@@H](C(=O)[C@]3([C@@H](C[C@H]4[C@@]([C@@H]3[C@H]([C@](C2(C)C)(C[C@H]1OC(=O)[C@H]([C@@H](c5ccccc5)NC(=O)c6ccccc6)OC(=O)CCC(=O)NCCCC[C@H](C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CC(=O)N)C(=O)N[C@H](CC(=O)N)C(=O)N[C@H](Cc7ccccc7)C(=O)N[C@H](CCCCNC(=O)CCC(=O)O[C@@H]([C@@H](c8ccccc8)NC(=O)c9ccccc9)C(=O)O[C@@H]1C[C@@]2([C@@H]([C@@H]3[C@]([C@@H](C[C@H]5[C@@]3(CO5)OC(=O)C)O)(C(=O)[C@H](C(=C1C)C2(C)C)OC(=O)C)C)OC(=O)c1ccccc1)O)C(=O)N[C@H]([C@H](C)O)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@H](Cc1ccc(cc1)O)C(=O)O)NC(=O)CNC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](CO)NC(=O)CNC(=O)CNC(=O)[C@@H](Cc1ccc(cc1)O)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H]([C@@H](C)O)NC(=O)CCC(=O)O[C@H]([C@H](c1ccccc1)NC(=O)c1ccccc1)C(=O)O[C@H]1C[C@]2([C@H]([C@H]3[C@@]([C@H](C[C@@H]5[C@]3(CO5)OC(=O)C)O)(C(=O)[C@@H](C(=C1C)C2(C)C)OC(=O)C)C)OC(=O)c1ccccc1)O)O)OC(=O)c1ccccc1)(CO4)OC(=O)C)O)C)OC(=O)C

• Std. InChi

  InChI=1S/C257H308N32O79/c1-133-174(123-255(348)216(363-238(342)155-81-51-30-52-82-155)210-249(18,177(301)120-180-252(210,130-351-180)366-141(9)296)213(319)204(354-138(6)293)196(133)246(255,12)13)357-241(345)207(201(149-69-39-24-40-70-149)287-219(322)152-75-45-27-46-76-152)360-193(316)106-101-185(306)264-109-59-57-87-161(271-190(311)128-270-222(325)160(89-61-111-266-244(260)261)273-234(337)173(129-290)272-189(310)127-268-188(309)126-269-223(326)166(116-147-91-95-158(299)96-92-147)278-230(333)168(114-145-65-35-22-36-66-145)279-231(334)169(115-146-67-37-23-38-68-146)283-235(338)199(136(4)291)285-187(308)103-108-195(318)362-209(203(151-73-43-26-44-74-151)289-221(324)154-79-49-29-50-80-154)243(347)359-176-125-257(350)218(365-240(344)157-85-55-32-56-86-157)212-251(20,179(303)122-182-254(212,132-353-182)368-143(11)298)215(321)206(356-140(8)295)198(135(176)3)248(257,16)17)224(327)274-163(90-62-112-267-245(262)263)225(328)281-170(118-183(258)304)233(336)282-171(119-184(259)305)232(335)280-167(113-144-63-33-21-34-64-144)229(332)275-162(228(331)286-200(137(5)292)236(339)277-165(100-105-192(314)315)226(329)276-164(99-104-191(312)313)227(330)284-172(237(340)341)117-148-93-97-159(300)98-94-148)88-58-60-110-265-186(307)102-107-194(317)361-208(202(150-71-41-25-42-72-150)288-220(323)153-77-47-28-48-78-153)242(346)358-175-124-256(349)217(364-239(343)156-83-53-31-54-84-156)211-250(19,178(302)121-181-253(211,131-352-181)367-142(10)297)214(320)205(355-139(7)294)197(134(175)2)247(256,14)15/h21-56,63-86,91-98,136-137,160-182,199-212,216-218,290-292,299-303,348-350H,57-62,87-90,99-132H2,1-20H3,(H2,258,304)(H2,259,305)(H,264,306)(H,265,307)(H,268,309)(H,269,326)(H,270,325)(H,271,311)(H,272,310)(H,273,337)(H,274,327)(H,275,332)(H,276,329)(H,277,339)(H,278,333)(H,279,334)(H,280,335)(H,281,328)(H,282,336)(H,283,338)(H,284,330)(H,285,308)(H,286,331)(H,287,322)(H,288,323)(H,289,324)(H,312,313)(H,314,315)(H,340,341)(H4,260,261,266)(H4,262,263,267)/t136-,137+,160-,161-,162-,163-,164-,165-,166-,167-,168-,169-,170-,171-,172-,173-,174-,175-,176+,177-,178-,179+,180+,181+,182-,199+,200-,201-,202-,203+,204+,205+,206-,207+,208+,209-,210-,211-,212+,216-,217-,218+,249+,250+,251-,252-,253-,254+,255+,256+,257-/m1/s1

• Std. InChIKey

  GBVKRUOMSUTVPW-KARLVTCBSA-N

• Cite this record

  CSID:35003422, http://www.chemspider.com/Chemical-Structure.35003422.html (accessed 04:08, May 12, 2024)