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-trp-trp-trp-trp-cooh

Structural Information

Molecular Formula

C₂₃₁H₃₃₄N₆₄O₆₅

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](CC2=CNC3=CC=CC=C32)C(=O)N[C@@H](CC4=CNC5=CC=CC=C54)C(=O)N[C@@H](CC6=CNC7=CC=CC=C76)C(=O)N[C@@H](CC8=CNC9=CC=CC=C98)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](CC1=CNC2=CC=CC=C21)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/C231H334N64O65/c1-23-109(8)183(292-196(328)121(20)263-197(329)145(57-40-86-246-228(238)239)270-220(352)168(100-181(317)318)289-215(347)162(93-125-101-250-138-50-32-26-44-132(125)138)283-195(327)119(18)261-200(332)152(68-78-174(303)304)277-214(346)166(97-129-105-254-142-54-36-30-48-136(129)142)290-226(358)186(123(22)297)295-222(354)182(237)122(21)296)223(355)265-120(19)192(324)268-155(71-81-177(309)310)209(341)284-161(92-124-61-63-131(298)64-62-124)212(344)264-114(13)189(321)256-115(14)190(322)266-148(60-43-89-249-231(244)245)211(343)293-184(110(9)24-2)225(357)280-154(70-80-176(307)308)201(333)262-118(17)194(326)282-160(91-108(6)7)221(353)294-185(111(10)25-3)224(356)279-146(58-41-87-247-229(240)241)198(330)259-112(11)187(319)257-116(15)191(323)267-149(65-75-170(233)299)204(336)275-157(73-83-179(313)314)208(340)273-150(66-76-171(234)300)205(337)272-151(67-77-172(235)301)206(338)276-156(72-82-178(311)312)207(339)269-144(56-38-39-85-232)203(335)288-167(99-173(236)302)219(351)278-153(69-79-175(305)306)199(331)260-113(12)188(320)258-117(16)193(325)281-159(90-107(4)5)213(345)271-147(59-42-88-248-230(242)243)202(334)274-158(74-84-180(315)316)210(342)285-163(94-126-102-251-139-51-33-27-45-133(126)139)216(348)286-164(95-127-103-252-140-52-34-28-46-134(127)140)217(349)287-165(96-128-104-253-141-53-35-29-47-135(128)141)218(350)291-169(227(359)360)98-130-106-255-143-55-37-31-49-137(130)143/h26-37,44-55,61-64,101-123,144-169,182-186,250-255,296-298H,23-25,38-43,56-60,65-100,232,237H2,1-22H3,(H2,233,299)(H2,234,300)(H2,235,301)(H2,236,302)(H,256,321)(H,257,319)(H,258,320)(H,259,330)(H,260,331)(H,261,332)(H,262,333)(H,263,329)(H,264,344)(H,265,355)(H,266,322)(H,267,323)(H,268,324)(H,269,339)(H,270,352)(H,271,345)(H,272,337)(H,273,340)(H,274,334)(H,275,336)(H,276,338)(H,277,346)(H,278,351)(H,279,356)(H,280,357)(H,281,325)(H,282,326)(H,283,327)(H,284,341)(H,285,342)(H,286,348)(H,287,349)(H,288,335)(H,289,347)(H,290,358)(H,291,350)(H,292,328)(H,293,343)(H,294,353)(H,295,354)(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)(H4,238,239,246)(H4,240,241,247)(H4,242,243,248)(H4,244,245,249)/t109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122+,123+,144-,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-,182-,183-,184-,185-,186-/m0/s1

InChIKey

VESAFTXSXYTYAB-CRYRHFQJSA-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)-1-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-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-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 16134199