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Substance Name: Benpenolisin [INN]
RN: 61990-92-9
UNII: 5DS6P3FN1B
InChIKey: BZXFZSKUUFBHDS-XDMHUDCZSA-B

Molecular Formula

  • ((C22-H30-N4-O5-S)x-.H2-O.12K

Molecular Weight

  • 6025.912
 
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Names and Synonyms

Name of Substance

  • Benpenolisin [INN]

Synonyms

  • Benpenolisin
  • N(sup 6)-(D-2-((2R,4S)-4-Carboxy-5,5-dimethyl-2-thiazolidinyl)-N-(phenylacetyl)glycyl)-L-lysine monopotassium salt, dodecapeptide
  • N6-(2-((2R,4S)-4-Kaliumcarboxylato-5,5-dimethyl-2-thiazolanyl)-N-(phenylacetyl)glycyl)-L-lysin-dodekapeptid
  • UNII-5DS6P3FN1B

Systematic Name

  • Poly(imino(1-(4-(((4-carboxy-5,5-dimethyl-2-thiazolidinyl)((phenylacetyl)amino)acetyl)amino)butyl)-2-oxo-1,2-ethanediyl)), alpha-hydro-omega-hydroxy-, dodecapotassium salt, (2R-(2alpha(R*(S*)),4beta))-

Registry Numbers

CAS Registry Number

  • 61990-92-9

FDA UNII

  • 5DS6P3FN1B

System Generated Number

  • 0061990929

Molecular Formulas

Molecular Formula

  • ((C22-H30-N4-O5-S)x-.H2-O.12K

Molecular Formula Fragments

  • C22-H30-N4-O5-S
  • COMPONENT
  • H2-O
  • K

Structure Descriptors

InChI

1S/C264H362N48O61S12.12K/c1-253(2)193(241(350)351)301-228(374-253)181(289-169(313)133-145-85-37-25-38-86-145)216(336)266-121-73-61-109-157(265)205(325)278-158(110-62-74-122-267-217(337)182(229-302-194(242(352)353)254(3,4)375-229)290-170(314)134-146-87-39-26-40-88-146)206(326)279-159(111-63-75-123-268-218(338)183(230-303-195(243(354)355)255(5,6)376-230)291-171(315)135-147-89-41-27-42-90-147)207(327)280-160(112-64-76-124-269-219(339)184(231-304-196(244(356)357)256(7,8)377-231)292-172(316)136-148-91-43-28-44-92-148)208(328)281-161(113-65-77-125-270-220(340)185(232-305-197(245(358)359)257(9,10)378-232)293-173(317)137-149-93-45-29-46-94-149)209(329)282-162(114-66-78-126-271-221(341)186(233-306-198(246(360)361)258(11,12)379-233)294-174(318)138-150-95-47-30-48-96-150)210(330)283-163(115-67-79-127-272-222(342)187(234-307-199(247(362)363)259(13,14)380-234)295-175(319)139-151-97-49-31-50-98-151)211(331)284-164(116-68-80-128-273-223(343)188(235-308-200(248(364)365)260(15,16)381-235)296-176(320)140-152-99-51-32-52-100-152)212(332)285-165(117-69-81-129-274-224(344)189(236-309-201(249(366)367)261(17,18)382-236)297-177(321)141-153-101-53-33-54-102-153)213(333)286-166(118-70-82-130-275-225(345)190(237-310-202(250(368)369)262(19,20)383-237)298-178(322)142-154-103-55-34-56-104-154)214(334)287-167(119-71-83-131-276-226(346)191(238-311-203(251(370)371)263(21,22)384-238)299-179(323)143-155-105-57-35-58-106-155)215(335)288-168(240(348)349)120-72-84-132-277-227(347)192(239-312-204(252(372)373)264(23,24)385-239)300-180(324)144-156-107-59-36-60-108-156;;;;;;;;;;;;/h25-60,85-108,157-168,181-204,228-239,301-312H,61-84,109-144,265H2,1-24H3,(H,266,336)(H,267,337)(H,268,338)(H,269,339)(H,270,340)(H,271,341)(H,272,342)(H,273,343)(H,274,344)(H,275,345)(H,276,346)(H,277,347)(H,278,325)(H,279,326)(H,280,327)(H,281,328)(H,282,329)(H,283,330)(H,284,331)(H,285,332)(H,286,333)(H,287,334)(H,288,335)(H,289,313)(H,290,314)(H,291,315)(H,292,316)(H,293,317)(H,294,318)(H,295,319)(H,296,320)(H,297,321)(H,298,322)(H,299,323)(H,300,324)(H,348,349)(H,350,351)(H,352,353)(H,354,355)(H,356,357)(H,358,359)(H,360,361)(H,362,363)(H,364,365)(H,366,367)(H,368,369)(H,370,371)(H,372,373);;;;;;;;;;;;/q;12*+1/p-12/t157-,158-,159-,160-,161-,162-,163-,164-,165-,166-,167-,168-,181+,182+,183+,184+,185+,186+,187+,188+,189+,190+,191+,192+,193-,194-,195-,196-,197-,198-,199-,200-,201-,202-,203-,204-,228+,229+,230+,231+,232+,233+,234+,235+,236+,237+,238+,239+;;;;;;;;;;;;/m0............/s1

InChIKey

BZXFZSKUUFBHDS-XDMHUDCZSA-B

Smiles

CC1([C@@H](N[C@H](S1)[C@@H](C(=O)NCCCC[C@@H](C(=O)N[C@@H](CCCCNC(=O)[C@H]([C@@H]2N[C@H](C(S2)(C)C)C(=O)[O-])NC(=O)Cc3ccccc3)C(=O)N[C@@H](CCCCNC(=O)[C@H]([C@@H]4N[C@H](C(S4)(C)C)C(=O)[O-])NC(=O)Cc5ccccc5)C(=O)N[C@@H](CCCCNC(=O)[C@H]([C@@H]6N[C@H](C(S6)(C)C)C(=O)[O-])NC(=O)Cc7ccccc7)C(=O)N[C@@H](CCCCNC(=O)[C@H]([C@@H]8N[C@H](C(S8)(C)C)C(=O)[O-])NC(=O)Cc9ccccc9)C(=O)N[C@@H](CCCCNC(=O)[C@H]([C@@H]1N[C@H](C(S1)(C)C)C(=O)[O-])NC(=O)Cc1ccccc1)C(=O)N[C@@H](CCCCNC(=O)[C@H]([C@@H]1N[C@H](C(S1)(C)C)C(=O)[O-])NC(=O)Cc1ccccc1)C(=O)N[C@@H](CCCCNC(=O)[C@H]([C@@H]1N[C@H](C(S1)(C)C)C(=O)[O-])NC(=O)Cc1ccccc1)C(=O)N[C@@H](CCCCNC(=O)[C@H]([C@@H]1N[C@H](C(S1)(C)C)C(=O)[O-])NC(=O)Cc1ccccc1)C(=O)N[C@@H](CCCCNC(=O)[C@H]([C@@H]1N[C@H](C(S1)(C)C)C(=O)[O-])NC(=O)Cc1ccccc1)C(=O)N[C@@H](CCCCNC(=O)[C@H]([C@@H]1N[C@H](C(S1)(C)C)C(=O)[O-])NC(=O)Cc1ccccc1)C(=O)N[C@@H](CCCCNC(=O)[C@H]([C@@H]1N[C@H](C(S1)(C)C)C(=O)[O-])NC(=O)Cc1ccccc1)C(=O)O)N)NC(=O)Cc1ccccc1)C(=O)[O-])C.[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+]