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Substance Name: Nagrestipen [USAN:INN:BAN]
RN: 166089-33-4
UNII: 9350121Z8S
InChIKey: GHMIYQUXODMULQ-FMJSYFGXSA-N

Note

  • A stem cell inhibitory protein.

Classification Code

  • Hematopoietic Inhibitor

Molecular Formula

  • C338-H516-N88-O108-S4

Molecular Weight

  • 7653.5515
 
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Names and Synonyms

Name of Substance

  • Nagrestipen
  • Nagrestipen [USAN:INN:BAN]

Synonyms

  • 26-L-Alaninelymphokine MIP 1alpha (human clone pAT464 macrophage inflammatory)
  • BB-10010
  • Human clone pat464 macrophage inflammatory
  • Nagrestipen
  • UNII-9350121Z8S

Registry Numbers

CAS Registry Number

  • 166089-33-4

FDA UNII

  • 9350121Z8S

System Generated Number

  • 0166089334

Structure Descriptors

InChI

1S/C338H515N87O108S4/c1-37-165(22)260-325(522)363-169(26)269(466)360-170(27)270(467)380-212(132-184-84-90-188(441)91-85-184)293(490)387-213(128-180-65-44-40-45-66-180)292(489)374-207(104-113-252(457)458)288(485)417-265(177(34)438)329(526)405-233(151-435)312(509)400-227(145-429)306(503)375-199(96-105-242(342)444)285(482)407-237-155-537-535-153-235(406-273(470)173(30)364-327(524)263(175(32)436)420-320(517)241-83-64-122-425(241)334(531)267(179(36)440)421-303(500)222(138-254(461)462)381-271(468)171(28)359-268(465)168(25)361-289(486)208(123-156(4)5)382-274(471)192(341)142-426)316(513)408-236(314(511)390-214(129-181-67-46-41-47-68-181)295(492)399-228(146-430)309(506)389-218(134-186-88-94-190(443)95-89-186)301(498)419-266(178(35)439)330(527)404-231(149-433)308(505)369-197(78-59-117-355-337(350)351)277(474)371-203(100-109-246(346)448)287(484)416-262(167(24)39-3)333(530)424-121-63-82-240(424)318(515)377-200(97-106-243(343)445)282(479)392-220(136-247(347)449)296(493)388-216(300(497)414-260)131-183-71-50-43-51-72-183)154-536-534-152-234(409-323(520)259(164(20)21)411-286(483)202(99-108-245(345)447)370-276(473)196(77-58-116-354-336(348)349)368-305(502)226(144-428)397-279(476)198(79-60-118-356-338(352)353)367-275(472)195(76-55-57-115-340)378-328(525)264(176(33)437)418-298(495)211(126-159(10)11)385-294(491)215(130-182-69-48-42-49-70-182)394-326(523)261(166(23)38-2)415-324(521)256(161(14)15)410-248(450)141-358-317(514)238-80-61-119-422(238)331(528)223(127-160(12)13)396-311(508)229(147-431)401-315(237)512)313(510)362-172(29)272(469)395-224(139-255(463)464)332(529)423-120-62-81-239(423)319(516)402-230(148-432)307(504)376-204(101-110-249(451)452)281(478)372-205(102-111-250(453)454)284(481)391-219(135-187-140-357-193-74-53-52-73-191(187)193)302(499)413-257(162(16)17)321(518)379-201(98-107-244(344)446)280(477)366-194(75-54-56-114-339)278(475)386-217(133-185-86-92-189(442)93-87-185)299(496)412-258(163(18)19)322(519)403-232(150-434)310(507)393-221(137-253(459)460)297(494)384-209(124-157(6)7)290(487)373-206(103-112-251(455)456)283(480)383-210(125-158(8)9)291(488)398-225(143-427)304(501)365-174(31)335(532)533/h40-53,65-74,84-95,140,156-179,192,194-241,256-267,357,426-443H,37-39,54-64,75-83,96-139,141-155,339-341H2,1-36H3,(H2,342,444)(H2,343,445)(H2,344,446)(H2,345,447)(H2,346,448)(H2,347,449)(H,358,514)(H,359,465)(H,360,466)(H,361,486)(H,362,510)(H,363,522)(H,364,524)(H,365,501)(H,366,477)(H,367,472)(H,368,502)(H,369,505)(H,370,473)(H,371,474)(H,372,478)(H,373,487)(H,374,489)(H,375,503)(H,376,504)(H,377,515)(H,378,525)(H,379,518)(H,380,467)(H,381,468)(H,382,471)(H,383,480)(H,384,494)(H,385,491)(H,386,475)(H,387,490)(H,388,493)(H,389,506)(H,390,511)(H,391,481)(H,392,479)(H,393,507)(H,394,523)(H,395,469)(H,396,508)(H,397,476)(H,398,488)(H,399,492)(H,400,509)(H,401,512)(H,402,516)(H,403,519)(H,404,527)(H,405,526)(H,406,470)(H,407,482)(H,408,513)(H,409,520)(H,410,450)(H,411,483)(H,412,496)(H,413,499)(H,414,497)(H,415,521)(H,416,484)(H,417,485)(H,418,495)(H,419,498)(H,420,517)(H,421,500)(H,451,452)(H,453,454)(H,455,456)(H,457,458)(H,459,460)(H,461,462)(H,463,464)(H,532,533)(H4,348,349,354)(H4,350,351,355)(H4,352,353,356)/t165-,166-,167-,168-,169-,170-,171-,172-,173-,174-,175+,176+,177+,178+,179+,192-,194-,195-,196-,197-,198-,199-,200-,201-,202-,203-,204-,205-,206-,207-,208-,209-,210-,211-,212-,213-,214-,215-,216-,217-,218-,219-,220-,221-,222-,223-,224-,225-,226-,227-,228-,229-,230-,231-,232-,233-,234-,235-,236-,237-,238-,239-,240-,241-,256-,257-,258-,259-,260-,261-,262-,263-,264-,265-,266-,267-/m0/s1

InChIKey

GHMIYQUXODMULQ-FMJSYFGXSA-N

Smiles

CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H]2CSSC[C@@H](C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H]3CCCN3C(=O)[C@@H](NC(=O)[C@@H](NC2=O)CO)CC(C)C)C(C)C)[C@@H](C)CC)Cc4ccccc4)CC(C)C)[C@@H](C)O)CCCCN)CCCNC(=N)N)CO)CCCNC(=N)N)CCC(=O)N)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N5CCC[C@H]5C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc6c[nH]c7c6cccc7)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc8ccc(cc8)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N9CCC[C@H]9C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)Cc1ccccc1)CC(=O)N)CCC(=O)N)[C@@H](C)CC)CCC(=O)N)CCCNC(=N)N)CO)[C@@H](C)O)Cc1ccc(cc1)O)CO)Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)N)CCC(=O)N)CO)CO)[C@@H](C)O)CCC(=O)O)Cc1ccccc1)Cc1ccc(cc1)O)C)C