Ac-arg-met-lys-gln-ile-glu-asp-lys-ile-glu-glu-ile-glu-ser-lys-gln-lys-lys-ile-glu-asn-glu-ile-ala-arg-ile-lys-lys-leu-ile-glu-ala-gln-gln-his-leu-leu-gln-leu-thr-val-trp-gly-ile-lys-gln-leu-gln-ala-arg-ile-leu-nh2

Structural Information

Molecular Formula

C₂₈₁H₄₈₃N₈₁O₇₉S

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N)NC(=O)CNC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)[C@H](C(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC3=CN=CN3)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C

InChI

InChI=1S/C281H483N81O79S/c1-39-145(24)218(270(433)334-169(76-55-63-116-287)240(403)326-177(85-99-203(293)369)245(408)342-190(124-139(12)13)259(422)330-174(82-96-200(290)366)233(396)312-154(33)229(392)316-172(80-67-120-307-280(301)302)255(418)358-226(153(32)47-9)277(440)341-189(228(298)391)123-138(10)11)352-208(374)135-310-232(395)195(129-159-133-309-162-70-49-48-69-161(159)162)350-268(431)217(144(22)23)353-278(441)227(157(36)364)362-266(429)194(128-143(20)21)344-246(409)179(87-101-205(295)371)331-260(423)191(125-140(14)15)345-261(424)192(126-141(16)17)346-262(425)196(130-160-134-305-137-311-160)347-247(410)178(86-100-204(294)370)327-242(405)175(83-97-201(291)367)318-230(393)155(34)313-234(397)181(89-103-209(375)376)336-276(439)225(152(31)46-8)361-265(428)193(127-142(18)19)343-241(404)167(74-53-61-114-285)319-239(402)168(75-54-62-115-286)335-271(434)220(147(26)41-3)357-254(417)173(81-68-121-308-281(303)304)317-231(394)156(35)314-269(432)219(146(25)40-2)354-258(421)187(95-109-215(387)388)332-263(426)197(131-207(297)373)348-248(411)183(91-105-211(379)380)338-273(436)222(149(28)43-5)355-252(415)170(77-56-64-117-288)322-236(399)164(71-50-58-111-282)320-243(406)176(84-98-202(292)368)325-238(401)166(73-52-60-113-284)324-267(430)199(136-363)351-250(413)185(93-107-213(383)384)340-275(438)224(151(30)45-7)360-257(420)186(94-108-214(385)386)329-244(407)182(90-104-210(377)378)337-272(435)221(148(27)42-4)356-253(416)171(78-57-65-118-289)323-264(427)198(132-216(389)390)349-249(412)184(92-106-212(381)382)339-274(437)223(150(29)44-6)359-256(419)180(88-102-206(296)372)328-237(400)165(72-51-59-112-283)321-251(414)188(110-122-442-38)333-235(398)163(315-158(37)365)79-66-119-306-279(299)300/h48-49,69-70,133-134,137-157,163-199,217-227,309,363-364H,39-47,50-68,71-132,135-136,282-289H2,1-38H3,(H2,290,366)(H2,291,367)(H2,292,368)(H2,293,369)(H2,294,370)(H2,295,371)(H2,296,372)(H2,297,373)(H2,298,391)(H,305,311)(H,310,395)(H,312,396)(H,313,397)(H,314,432)(H,315,365)(H,316,392)(H,317,394)(H,318,393)(H,319,402)(H,320,406)(H,321,414)(H,322,399)(H,323,427)(H,324,430)(H,325,401)(H,326,403)(H,327,405)(H,328,400)(H,329,407)(H,330,422)(H,331,423)(H,332,426)(H,333,398)(H,334,433)(H,335,434)(H,336,439)(H,337,435)(H,338,436)(H,339,437)(H,340,438)(H,341,440)(H,342,408)(H,343,404)(H,344,409)(H,345,424)(H,346,425)(H,347,410)(H,348,411)(H,349,412)(H,350,431)(H,351,413)(H,352,374)(H,353,441)(H,354,421)(H,355,415)(H,356,416)(H,357,417)(H,358,418)(H,359,419)(H,360,420)(H,361,428)(H,362,429)(H,375,376)(H,377,378)(H,379,380)(H,381,382)(H,383,384)(H,385,386)(H,387,388)(H,389,390)(H4,299,300,306)(H4,301,302,307)(H4,303,304,308)/t145-,146-,147-,148-,149-,150-,151-,152-,153-,154-,155-,156-,157+,163-,164-,165-,166-,167-,168-,169-,170-,171-,172-,173-,174-,175-,176-,177-,178-,179-,180-,181-,182-,183-,184-,185-,186-,187-,188-,189-,190-,191-,192-,193-,194-,195-,196-,197-,198-,199-,217-,218-,219-,220-,221-,222-,223-,224-,225-,226-,227-/m0/s1

InChIKey

NPGBFTQCODJGJO-HYFALIKBSA-N

Compound name

(4S)-4-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-5-carbamimidamidopentanoyl]amino]-4-methylsulfanylbutanoyl]amino]-6-aminohexanoyl]amino]-5-amino-5-oxopentanoyl]amino]-3-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]amino]-3-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-5-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-5-amino-1-[[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S,3S)-1-[[(2S)-6-amino-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16130748