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Substance Name: Luturin
RN: 1407-04-1
UNII: U76BW7BQCY
InChIKey: WBJQYNGHUCFXMA-QNPXGKNTSA-N

Molecular Weight

  • 5533.5125
 
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Names and Synonyms

Name of Substance

  • Luturin

Synonyms

  • Lutrexin
  • Lututrin
  • UNII-U76BW7BQCY

Systematic Name

  • Lututrin

Registry Numbers

CAS Registry Number

  • 1407-04-1

FDA UNII

  • U76BW7BQCY

System Generated Number

  • 0001407041

Structure Descriptors

InChI

1S/C236H385N69O70S7/c1-30-118(21)181-224(366)264-123(26)187(329)267-139(63-49-82-255-234(247)248)197(339)279-148(87-111(7)8)207(349)295-165(231(374)375)109-382-378-105-161(192(334)261-100-169(314)296-178(115(15)16)221(363)286-152(208(350)290-159(103-308)230(372)373)91-127-96-258-133-57-39-37-54-129(127)133)294-227(369)184(121(24)33-4)300-203(345)145(70-75-174(323)324)277-223(365)180(117(19)20)299-213(355)153(92-128-97-259-134-58-40-38-55-130(128)134)282-205(347)147(86-110(5)6)278-198(340)141(65-51-84-257-236(251)252)274-222(364)179(116(17)18)298-211(353)150(89-113(11)12)280-201(343)143(68-73-172(319)320)271-194(336)135(62-48-81-254-233(245)246)265-167(312)98-260-191(333)160(291-188(330)122(25)263-193(335)136(59-41-44-77-237)275-225(367)182(119(22)31-2)302-212(354)151(90-126-52-35-34-36-53-126)281-210(352)155(94-175(325)326)284-209(351)154(93-166(242)311)287-229(371)186(125(28)310)305-216(358)158(102-307)288-190(332)132(241)66-71-170(315)316)104-377-380-107-163-217(359)273-144(69-74-173(321)322)202(344)297-177(114(13)14)220(362)262-99-168(313)266-162(219(361)303-183(120(23)32-3)226(368)276-140(64-50-83-256-235(249)250)195(337)269-137(60-42-45-78-238)196(338)283-156(95-176(327)328)214(356)301-181)106-379-381-108-164(218(360)293-163)292-199(341)138(61-43-46-79-239)270-200(342)142(67-72-171(317)318)272-215(357)157(101-306)289-206(348)149(88-112(9)10)285-228(370)185(124(27)309)304-204(346)146(76-85-376-29)268-189(331)131(240)56-47-80-253-232(243)244/h34-40,52-55,57-58,96-97,110-125,131-132,135-165,177-186,258-259,306-310H,30-33,41-51,56,59-95,98-109,237-241H2,1-29H3,(H2,242,311)(H,260,333)(H,261,334)(H,262,362)(H,263,335)(H,264,366)(H,265,312)(H,266,313)(H,267,329)(H,268,331)(H,269,337)(H,270,342)(H,271,336)(H,272,357)(H,273,359)(H,274,364)(H,275,367)(H,276,368)(H,277,365)(H,278,340)(H,279,339)(H,280,343)(H,281,352)(H,282,347)(H,283,338)(H,284,351)(H,285,370)(H,286,363)(H,287,371)(H,288,332)(H,289,348)(H,290,350)(H,291,330)(H,292,341)(H,293,360)(H,294,369)(H,295,349)(H,296,314)(H,297,344)(H,298,353)(H,299,355)(H,300,345)(H,301,356)(H,302,354)(H,303,361)(H,304,346)(H,305,358)(H,315,316)(H,317,318)(H,319,320)(H,321,322)(H,323,324)(H,325,326)(H,327,328)(H,372,373)(H,374,375)(H4,243,244,253)(H4,245,246,254)(H4,247,248,255)(H4,249,250,256)(H4,251,252,257)/t118-,119-,120-,121-,122-,123-,124+,125+,131-,132-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-,152-,153-,154-,155-,156-,157-,158-,159-,160-,161-,162-,163-,164-,165-,177-,178-,179-,180-,181-,182-,183-,184-,185-,186-/m0/s1

InChIKey

WBJQYNGHUCFXMA-QNPXGKNTSA-N

Smiles

CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@H]2CSSC[C@@H]3NC(=O)[C@H](CSSC[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC3=O)C(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC2=O)C(C)C)C(C)C)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc6c[nH]c7ccccc67)C(=O)N[C@@H](CO)C(=O)O)C(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CCCNC(=N)N)[C@@H](C)O