Names and Identifiers

• • UNII-8P77G99D3P
  • Paclitaxel trevatide [INN]
  • Paclitaxel-Angiopep-2 conjugate
  • 1075214-55-9
  • ANG 1005
  • GRN 1005
  • Angiopep-2 paclitaxel conjugate
  • ANG1005
  • +expand
• • Inchi： 1S/C259H311N33O80/c1-134-175(123-257(352)218(367-240(346)156-81-51-30-52-82-156)212-251(18,178(304)120-181-254(212,131-355-181)370-142(9)299)215(323)206(358-139(6)296)198(134)248(257,12)13)361-243(349)209(203(150-69-39-24-40-70-150)290-221(326)153-75-45-27-46-76-153)364-195(320)106-101-186(309)266-109-59-57-87-162(274-191(314)128-272-224(329)161(89-61-111-268-246(262)263)277-236(341)174(130-293)276-190(313)127-270-189(312)126-271-225(330)168(116-148-91-95-159(302)96-92-148)281-232(337)169(114-146-65-35-22-36-66-146)283-233(338)170(115-147-67-37-23-38-68-147)286-237(342)201(137(4)294)288-188(311)103-108-197(322)366-211(205(152-73-43-26-44-74-152)292-223(328)155-79-49-29-50-80-155)245(351)363-177-125-259(354)220(369-242(348)158-85-55-32-56-86-158)214-253(20,180(306)122-183-256(214,133-357-183)372-144(11)301)217(325)208(360-141(8)298)200(136(177)3)250(259,16)17)227(332)278-164(90-62-112-269-247(264)265)228(333)284-171(118-184(260)307)235(340)285-172(119-185(261)308)234(339)282-167(113-145-63-33-21-34-64-145)226(331)273-129-192(315)275-163(231(336)289-202(138(5)295)238(343)280-166(100-105-194(318)319)229(334)279-165(99-104-193(316)317)230(335)287-173(239(344)345)117-149-93-97-160(303)98-94-149)88-58-60-110-267-187(310)102-107-196(321)365-210(204(151-71-41-25-42-72-151)291-222(327)154-77-47-28-48-78-154)244(350)362-176-124-258(353)219(368-241(347)157-83-53-31-54-84-157)213-252(19,179(305)121-182-255(213,132-356-182)371-143(10)300)216(324)207(359-140(7)297)199(135(176)2)249(258,14)15/h21-56,63-86,91-98,137-138,161-183,201-214,218-220,293-295,302-306,352-354H,57-62,87-90,99-133H2,1-20H3,(H2,260,307)(H2,261,308)(H,266,309)(H,267,310)(H,270,312)(H,271,330)(H,272,329)(H,273,331)(H,274,314)(H,275,315)(H,276,313)(H,277,341)(H,278,332)(H,279,334)(H,280,343)(H,281,337)(H,282,339)(H,283,338)(H,284,333)(H,285,340)(H,286,342)(H,287,335)(H,288,311)(H,289,336)(H,290,326)(H,291,327)(H,292,328)(H,316,317)(H,318,319)(H,344,345)(H4,262,263,268)(H4,264,265,269)/t137?,138-,161+,162+,163+,164+,165+,166+,167+,168+,169+,170+,171+,172+,173+,174+,175+,176+,177+,178+,179+,180+,181-,182-,183-,201?,202+,203+,204+,205+,206-,207-,208-,209-,210-,211-,212+,213+,214+,218+,219+,220+,251-,252-,253-,254+,255+,256+,257-,258-,259-/m1/s1
  • InChI Key： QCHRAZFMQXDSSF-ZTOGJOBFSA-N
  • SMILES： O1C[C@@]2([C@H]1C[C@@H]([C@@]1(C)C([C@@H](C3=C(C)[C@H](C[C@](C3(C)C)([C@H]([C@H]21)OC(C1C=CC=CC=1)=O)O)OC([C@@H]([C@H](C1C=CC=CC=1)NC(C1C=CC=CC=1)=O)OC(CCC(NC(C(N[C@H](C(N[C@H](C(N[C@H](C(NCC(NCC(N[C@@H](CO)C(N[C@@H](CCCNC(=N)N)C(NCC(N[C@H](C(N[C@H](C(N[C@H](C(N[C@@H](CC(N)=O)C(N[C@@H](CC1C=CC=CC=1)C(NCC(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(=O)O)CC1C=CC(=CC=1)O)=O)CCC(=O)O)=O)CCC(=O)O)=O)[C@@H](C)O)=O)CCCCNC(CCC(=O)O[C@H]([C@H](C1C=CC=CC=1)NC(C1C=CC=CC=1)=O)C(=O)O[C@@H]1C(C)=C2[C@H](C([C@]3(C)[C@H](C[C@@H]4[C@@](CO4)([C@H]3[C@@H]([C@](C1)(C2(C)C)O)OC(C1C=CC=CC=1)=O)OC(C)=O)O)=O)OC(C)=O)=O)=O)=O)=O)=O)CC(N)=O)=O)CCCNC(=N)N)=O)CCCCNC(CCC(=O)O[C@H]([C@H](C1C=CC=CC=1)NC(C1C=CC=CC=1)=O)C(=O)O[C@@H]1C(C)=C2[C@H](C([C@]3(C)[C@H](C[C@@H]4[C@@](CO4)([C@H]3[C@@H]([C@](C1)(C2(C)C)O)OC(C1C=CC=CC=1)=O)OC(C)=O)O)=O)OC(C)=O)=O)=O)=O)=O)=O)=O)=O)CC1C=CC(=CC=1)O)=O)CC1C=CC=CC=1)=O)CC1C=CC=CC=1)=O)C(C)O)=O)=O)=O)OC(C)=O)=O)O)OC(C)=O

Computed Properties