Nh2-met-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

C₂₃₀H₃₄₃N₆₃O₆₇S

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](CCSC)N

InChI

InChI=1S/C230H343N63O67S/c1-25-111(10)181(290-194(327)123(22)260-196(329)142(56-41-88-245-227(237)238)267-220(353)166(103-180(316)317)287-217(350)161(98-127-104-249-137-51-35-31-47-132(127)137)281-193(326)121(20)258-199(332)149(67-78-172(300)301)274-216(349)164(101-130-107-252-140-54-38-34-50-135(130)140)288-225(358)184(124(23)294)293-195(328)136(232)86-92-361-24)222(355)262-122(21)190(323)265-152(70-81-175(306)307)208(341)283-160(96-126-60-62-131(295)63-61-126)212(345)261-116(15)187(320)253-117(16)188(321)263-145(59-44-91-248-230(243)244)211(344)291-182(112(11)26-2)224(357)278-151(69-80-174(304)305)200(333)259-120(19)192(325)280-159(95-110(8)9)221(354)292-183(113(12)27-3)223(356)277-143(57-42-89-246-228(239)240)197(330)256-114(13)185(318)254-118(17)189(322)264-146(64-75-168(233)296)203(336)272-154(72-83-177(310)311)207(340)270-147(65-76-169(234)297)204(337)269-148(66-77-170(235)298)205(338)273-153(71-82-176(308)309)206(339)266-141(55-39-40-87-231)202(335)286-165(102-171(236)299)219(352)275-150(68-79-173(302)303)198(331)257-115(14)186(319)255-119(18)191(324)279-157(93-108(4)5)213(346)268-144(58-43-90-247-229(241)242)201(334)271-155(73-84-178(312)313)209(342)282-158(94-109(6)7)214(347)285-162(99-128-105-250-138-52-36-32-48-133(128)138)215(348)276-156(74-85-179(314)315)210(343)284-163(100-129-106-251-139-53-37-33-49-134(129)139)218(351)289-167(226(359)360)97-125-45-29-28-30-46-125/h28-38,45-54,60-63,104-124,136,141-167,181-184,249-252,294-295H,25-27,39-44,55-59,64-103,231-232H2,1-24H3,(H2,233,296)(H2,234,297)(H2,235,298)(H2,236,299)(H,253,320)(H,254,318)(H,255,319)(H,256,330)(H,257,331)(H,258,332)(H,259,333)(H,260,329)(H,261,345)(H,262,355)(H,263,321)(H,264,322)(H,265,323)(H,266,339)(H,267,353)(H,268,346)(H,269,337)(H,270,340)(H,271,334)(H,272,336)(H,273,338)(H,274,349)(H,275,352)(H,276,348)(H,277,356)(H,278,357)(H,279,324)(H,280,325)(H,281,326)(H,282,342)(H,283,341)(H,284,343)(H,285,347)(H,286,335)(H,287,350)(H,288,358)(H,289,351)(H,290,327)(H,291,344)(H,292,354)(H,293,328)(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)(H4,237,238,245)(H4,239,240,246)(H4,241,242,247)(H4,243,244,248)/t111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124+,136-,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-,166-,167-,181-,182-,183-,184-/m0/s1

InChIKey

CTDJITHPYXYULQ-OOXLCLFUSA-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)-2-amino-4-methylsulfanylbutanoyl]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 16134143