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-trp-glu-trp-phe-cooh

Structural Information

Molecular Formula

C₂₄₃H₃₆₃N₆₉O₇₆

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)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC4=CNC5=CC=CC=C54)C(=O)N[C@@H](CC6=CC=CC=C6)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](CC7=CNC8=CC=CC=C87)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC9=CNC1=CC=CC=C19)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](C)O)N

InChI

InChI=1S/C243H363N69O76/c1-25-115(10)192(309-205(353)127(22)277-208(356)146(56-41-87-258-240(250)251)286-231(379)170(101-190(342)343)306-228(376)165(96-132-102-262-141-51-35-31-47-137(132)141)300-204(352)125(20)275-211(359)153(67-78-182(326)327)293-227(375)168(99-135-105-265-144-54-38-34-50-140(135)144)307-238(386)195(129(24)316)312-234(382)191(249)128(23)315)235(383)279-126(21)201(349)284-156(70-81-185(332)333)220(368)302-164(94-131-60-62-136(317)63-61-131)224(372)278-120(15)198(346)270-121(16)199(347)282-149(59-44-90-261-243(256)257)223(371)310-193(116(11)26-2)237(385)297-155(69-80-184(330)331)212(360)276-124(19)203(351)299-163(93-114(8)9)232(380)311-194(117(12)27-3)236(384)296-147(57-42-88-259-241(252)253)209(357)273-118(13)196(344)271-122(17)200(348)283-150(64-75-174(245)318)215(363)291-158(72-83-187(336)337)219(367)289-151(65-76-175(246)319)216(364)288-152(66-77-176(247)320)217(365)292-157(71-82-186(334)335)218(366)285-145(55-39-40-86-244)214(362)305-169(100-177(248)321)230(378)294-154(68-79-183(328)329)210(358)274-119(14)197(345)272-123(18)202(350)298-162(92-113(6)7)225(373)287-148(58-43-89-260-242(254)255)213(361)290-159(73-84-188(338)339)221(369)301-161(91-112(4)5)206(354)268-106-178(322)266-108-180(324)280-172(110-313)207(355)269-107-179(323)267-109-181(325)281-173(111-314)233(381)304-166(97-133-103-263-142-52-36-32-48-138(133)142)226(374)295-160(74-85-189(340)341)222(370)303-167(98-134-104-264-143-53-37-33-49-139(134)143)229(377)308-171(239(387)388)95-130-45-29-28-30-46-130/h28-38,45-54,60-63,102-105,112-129,145-173,191-195,262-265,313-317H,25-27,39-44,55-59,64-101,106-111,244,249H2,1-24H3,(H2,245,318)(H2,246,319)(H2,247,320)(H2,248,321)(H,266,322)(H,267,323)(H,268,354)(H,269,355)(H,270,346)(H,271,344)(H,272,345)(H,273,357)(H,274,358)(H,275,359)(H,276,360)(H,277,356)(H,278,372)(H,279,383)(H,280,324)(H,281,325)(H,282,347)(H,283,348)(H,284,349)(H,285,366)(H,286,379)(H,287,373)(H,288,364)(H,289,367)(H,290,361)(H,291,363)(H,292,365)(H,293,375)(H,294,378)(H,295,374)(H,296,384)(H,297,385)(H,298,350)(H,299,351)(H,300,352)(H,301,369)(H,302,368)(H,303,370)(H,304,381)(H,305,362)(H,306,376)(H,307,386)(H,308,377)(H,309,353)(H,310,371)(H,311,380)(H,312,382)(H,326,327)(H,328,329)(H,330,331)(H,332,333)(H,334,335)(H,336,337)(H,338,339)(H,340,341)(H,342,343)(H,387,388)(H4,250,251,258)(H4,252,253,259)(H4,254,255,260)(H4,256,257,261)/t115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128+,129+,145-,146-,147-,148-,149-,150-,151-,152-,153-,154-,155-,156-,157-,158-,159-,160-,161-,162-,163-,164-,165-,166-,167-,168-,169-,170-,171-,172-,173-,191-,192-,193-,194-,195-/m0/s1

InChIKey

VFNBNRUVPKZJEU-MKZDCBLGSA-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-[[(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]-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 16134148