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-trp-glu-trp-phe-cooh

Structural Information

Molecular Formula

C₂₂₉H₃₄₁N₆₃O₆₈

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)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/C229H341N63O68/c1-25-109(10)180(289-193(327)121(22)259-194(328)140(56-41-87-244-226(236)237)266-218(352)164(101-178(316)317)286-215(349)159(96-126-102-248-135-51-35-31-47-131(126)135)280-192(326)119(20)257-197(331)147(67-78-170(300)301)273-214(348)162(99-129-105-251-138-54-38-34-50-134(129)138)287-224(358)183(123(24)294)292-220(354)179(235)122(23)293)221(355)261-120(21)189(323)264-150(70-81-173(306)307)206(340)282-158(94-125-60-62-130(295)63-61-125)210(344)260-114(15)186(320)252-115(16)187(321)262-143(59-44-90-247-229(242)243)209(343)290-181(110(11)26-2)223(357)277-149(69-80-172(304)305)198(332)258-118(19)191(325)279-157(93-108(8)9)219(353)291-182(111(12)27-3)222(356)276-141(57-42-88-245-227(238)239)195(329)255-112(13)184(318)253-116(17)188(322)263-144(64-75-166(231)296)201(335)271-152(72-83-175(310)311)205(339)269-145(65-76-167(232)297)202(336)268-146(66-77-168(233)298)203(337)272-151(71-82-174(308)309)204(338)265-139(55-39-40-86-230)200(334)285-163(100-169(234)299)217(351)274-148(68-79-171(302)303)196(330)256-113(14)185(319)254-117(18)190(324)278-155(91-106(4)5)211(345)267-142(58-43-89-246-228(240)241)199(333)270-153(73-84-176(312)313)207(341)281-156(92-107(6)7)212(346)284-160(97-127-103-249-136-52-36-32-48-132(127)136)213(347)275-154(74-85-177(314)315)208(342)283-161(98-128-104-250-137-53-37-33-49-133(128)137)216(350)288-165(225(359)360)95-124-45-29-28-30-46-124/h28-38,45-54,60-63,102-123,139-165,179-183,248-251,293-295H,25-27,39-44,55-59,64-101,230,235H2,1-24H3,(H2,231,296)(H2,232,297)(H2,233,298)(H2,234,299)(H,252,320)(H,253,318)(H,254,319)(H,255,329)(H,256,330)(H,257,331)(H,258,332)(H,259,328)(H,260,344)(H,261,355)(H,262,321)(H,263,322)(H,264,323)(H,265,338)(H,266,352)(H,267,345)(H,268,336)(H,269,339)(H,270,333)(H,271,335)(H,272,337)(H,273,348)(H,274,351)(H,275,347)(H,276,356)(H,277,357)(H,278,324)(H,279,325)(H,280,326)(H,281,341)(H,282,340)(H,283,342)(H,284,346)(H,285,334)(H,286,349)(H,287,358)(H,288,350)(H,289,327)(H,290,343)(H,291,353)(H,292,354)(H,300,301)(H,302,303)(H,304,305)(H,306,307)(H,308,309)(H,310,311)(H,312,313)(H,314,315)(H,316,317)(H,359,360)(H4,236,237,244)(H4,238,239,245)(H4,240,241,246)(H4,242,243,247)/t109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122+,123+,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-,152-,153-,154-,155-,156-,157-,158-,159-,160-,161-,162-,163-,164-,165-,179-,180-,181-,182-,183-/m0/s1

InChIKey

AAFMUQLOHPWAMF-ABZNHXMVSA-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-[[(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]-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 16134144