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-gln-gln-leu-arg-glu-trp-glu-trp-phe-cooh

Structural Information

Molecular Formula

C₂₂₇H₃₃₆N₆₄O₆₉

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](CCC(=O)N)C(=O)N[C@@H](CCC(=O)N)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](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/C227H336N64O69/c1-21-107(8)179(288-190(326)117(18)257-191(327)136(52-37-87-244-224(236)237)264-216(352)161(100-177(317)318)285-213(349)156(95-122-101-248-131-47-31-27-43-127(122)131)279-189(325)115(16)255-193(329)145(65-78-169(301)302)273-212(348)159(98-125-104-251-134-50-34-30-46-130(125)134)286-222(358)182(119(20)293)291-218(354)178(235)118(19)292)219(355)259-116(17)187(323)262-147(67-80-171(305)306)205(341)281-155(93-121-56-58-126(294)59-57-121)209(345)258-111(12)184(320)252-112(13)185(321)260-139(55-40-90-247-227(242)243)208(344)289-180(108(9)22-2)221(357)277-146(66-79-170(303)304)194(330)256-114(15)188(324)278-154(92-106(6)7)217(353)290-181(109(10)23-3)220(356)276-137(53-38-88-245-225(238)239)192(328)254-110(11)183(319)253-113(14)186(322)261-140(60-73-163(229)295)197(333)271-149(69-82-173(309)310)202(338)267-141(61-74-164(230)296)198(334)266-143(63-76-166(232)298)200(336)272-148(68-81-172(307)308)201(337)263-135(51-35-36-86-228)196(332)284-160(99-168(234)300)215(351)275-150(70-83-174(311)312)203(339)268-142(62-75-165(231)297)199(335)269-144(64-77-167(233)299)204(340)280-153(91-105(4)5)210(346)265-138(54-39-89-246-226(240)241)195(331)270-151(71-84-175(313)314)206(342)282-157(96-123-102-249-132-48-32-28-44-128(123)132)211(347)274-152(72-85-176(315)316)207(343)283-158(97-124-103-250-133-49-33-29-45-129(124)133)214(350)287-162(223(359)360)94-120-41-25-24-26-42-120/h24-34,41-50,56-59,101-119,135-162,178-182,248-251,292-294H,21-23,35-40,51-55,60-100,228,235H2,1-20H3,(H2,229,295)(H2,230,296)(H2,231,297)(H2,232,298)(H2,233,299)(H2,234,300)(H,252,320)(H,253,319)(H,254,328)(H,255,329)(H,256,330)(H,257,327)(H,258,345)(H,259,355)(H,260,321)(H,261,322)(H,262,323)(H,263,337)(H,264,352)(H,265,346)(H,266,334)(H,267,338)(H,268,339)(H,269,335)(H,270,331)(H,271,333)(H,272,336)(H,273,348)(H,274,347)(H,275,351)(H,276,356)(H,277,357)(H,278,324)(H,279,325)(H,280,340)(H,281,341)(H,282,342)(H,283,343)(H,284,332)(H,285,349)(H,286,358)(H,287,350)(H,288,326)(H,289,344)(H,290,353)(H,291,354)(H,301,302)(H,303,304)(H,305,306)(H,307,308)(H,309,310)(H,311,312)(H,313,314)(H,315,316)(H,317,318)(H,359,360)(H4,236,237,244)(H4,238,239,245)(H4,240,241,246)(H4,242,243,247)/t107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118+,119+,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-,152-,153-,154-,155-,156-,157-,158-,159-,160-,161-,162-,178-,179-,180-,181-,182-/m0/s1

InChIKey

LEKGCOMJZNMHJD-YEQJZSBNSA-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)-5-amino-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-5-carbamimidamido-1-[[(2S)-4-carboxy-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]-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-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 16134191