Nh2-thr-thr-trp-glu-ala-trp-asp-arg-ala-ile-ala-glu-tyr-ala-ala-arg-ile-glu-ala-leu-ile-arg-ala-ala-gln-glu-gln-gln-glu-lys-asn-glu-ala-ala-leu-arg-glu-leu-gly-gly-ser-gly-gly-ser-gly-gly-ser-trp-ala-ser-leu-trp-glu-trp-phe-cooh

Structural Information

Molecular Formula

C₂₇₃H₄₀₅N₇₇O₈₅

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](C)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](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)NCC(=O)N[C@@H](CO)C(=O)NCC(=O)NCC(=O)N[C@@H](CO)C(=O)NCC(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC4=CNC5=CC=CC=C54)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC6=CNC7=CC=CC=C76)C(=O)N[C@@H](CC8=CC=CC=C8)C(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC9=CNC1=CC=CC=C19)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](C)O)N

InChI

InChI=1S/C273H405N77O85/c1-28-130(12)217(347-231(396)143(25)310-235(400)165(63-46-94-288-270(280)281)321-260(425)191(110-215(384)385)343-257(422)186(105-149-112-293-160-58-40-35-53-155(149)160)335-229(394)140(22)308-238(403)172(74-85-207(368)369)328-256(421)189(108-152-115-296-163-61-43-38-56-158(152)163)344-268(433)220(145(27)356)350-264(429)216(279)144(26)355)265(430)313-142(24)226(391)319-175(77-88-210(374)375)247(412)338-184(102-147-67-69-153(357)70-68-147)251(416)311-135(17)223(388)303-136(18)224(389)317-168(66-49-97-291-273(286)287)250(415)348-218(131(13)29-2)267(432)332-174(76-87-209(372)373)239(404)309-139(21)228(393)334-183(101-129(10)11)261(426)349-219(132(14)30-3)266(431)331-166(64-47-95-289-271(282)283)236(401)306-133(15)221(386)304-137(19)225(390)318-169(71-82-197(275)358)242(407)326-177(79-90-212(378)379)246(411)324-170(72-83-198(276)359)243(408)323-171(73-84-199(277)360)244(409)327-176(78-89-211(376)377)245(410)320-164(62-44-45-93-274)241(406)342-190(109-200(278)361)259(424)329-173(75-86-208(370)371)237(402)307-134(16)222(387)305-138(20)227(392)333-181(99-127(6)7)253(418)322-167(65-48-96-290-272(284)285)240(405)325-178(80-91-213(380)381)248(413)336-180(98-126(4)5)232(397)300-116-201(362)297-119-204(365)314-193(122-351)233(398)301-117-202(363)298-120-205(366)315-194(123-352)234(399)302-118-203(364)299-121-206(367)316-195(124-353)262(427)341-185(104-148-111-292-159-57-39-34-52-154(148)159)252(417)312-141(23)230(395)346-196(125-354)263(428)337-182(100-128(8)9)254(419)340-187(106-150-113-294-161-59-41-36-54-156(150)161)255(420)330-179(81-92-214(382)383)249(414)339-188(107-151-114-295-162-60-42-37-55-157(151)162)258(423)345-192(269(434)435)103-146-50-32-31-33-51-146/h31-43,50-61,67-70,111-115,126-145,164-196,216-220,292-296,351-357H,28-30,44-49,62-66,71-110,116-125,274,279H2,1-27H3,(H2,275,358)(H2,276,359)(H2,277,360)(H2,278,361)(H,297,362)(H,298,363)(H,299,364)(H,300,397)(H,301,398)(H,302,399)(H,303,388)(H,304,386)(H,305,387)(H,306,401)(H,307,402)(H,308,403)(H,309,404)(H,310,400)(H,311,416)(H,312,417)(H,313,430)(H,314,365)(H,315,366)(H,316,367)(H,317,389)(H,318,390)(H,319,391)(H,320,410)(H,321,425)(H,322,418)(H,323,408)(H,324,411)(H,325,405)(H,326,407)(H,327,409)(H,328,421)(H,329,424)(H,330,420)(H,331,431)(H,332,432)(H,333,392)(H,334,393)(H,335,394)(H,336,413)(H,337,428)(H,338,412)(H,339,414)(H,340,419)(H,341,427)(H,342,406)(H,343,422)(H,344,433)(H,345,423)(H,346,395)(H,347,396)(H,348,415)(H,349,426)(H,350,429)(H,368,369)(H,370,371)(H,372,373)(H,374,375)(H,376,377)(H,378,379)(H,380,381)(H,382,383)(H,384,385)(H,434,435)(H4,280,281,288)(H4,282,283,289)(H4,284,285,290)(H4,286,287,291)/t130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144+,145+,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-,216-,217-,218-,219-,220-/m0/s1

InChIKey

NUYJCHJKMNTYBC-OXSMTGEMSA-N

Compound name

(4S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-carbamimidamido-1-[[(2S)-4-carboxy-1-[[(2S)-1-[[2-[[2-[[(2S)-1-[[2-[[2-[[(2S)-1-[[2-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-carboxy-1-[[(2S)-1-[[(1S)-1-carboxy-2-phenylethyl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-4-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-carboxybutanoyl]amino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-carboxypropanoyl]amino]-5-carbamimidamidopentanoyl]amino]propanoyl]amino]-3-methylpentanoyl]amino]propanoyl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16134205