Nh2-ala-pro-lys-glu-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-lys-gln-gly-ile-cooh

Structural Information

Molecular Formula

C₂₃₂H₃₇₂N₆₈O₇₂S

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](CCCCN)C(=O)N[C@@H](CCC(=O)N)C(=O)NCC(=O)N[C@@H]([C@@H](C)CC)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](CC2=CNC3=CC=CC=C32)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC4=CNC5=CC=CC=C54)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]6CCCN6C(=O)[C@H](C)N

InChI

InChI=1S/C232H372N68O72S/c1-28-111(11)179(296-193(336)125(25)264-195(338)138(54-42-91-250-229(242)243)272-220(363)162(104-178(325)326)293-218(361)159(101-128-105-254-133-49-34-32-47-131(128)133)289-192(335)123(23)262-198(341)146(67-79-170(309)310)281-217(360)160(102-129-106-255-134-50-35-33-48-132(129)134)294-226(369)183(126(26)301)299-213(356)154(87-96-373-27)283-209(352)152(73-85-176(321)322)277-201(344)137(53-38-41-90-235)284-222(365)163-58-46-95-300(163)227(370)115(15)236)223(366)266-124(24)189(332)269-149(70-82-173(315)316)210(353)291-158(100-127-59-61-130(302)62-60-127)214(357)265-118(18)186(329)257-119(19)187(330)267-141(57-45-94-253-232(248)249)212(355)297-180(112(12)29-2)225(368)286-148(69-81-172(313)314)199(342)263-122(22)191(334)288-157(99-110(9)10)221(364)298-181(113(13)30-3)224(367)285-139(55-43-92-251-230(244)245)196(339)260-116(16)184(327)258-120(20)188(331)268-143(64-76-165(238)304)204(347)279-151(72-84-175(319)320)208(351)276-144(65-77-166(239)305)205(348)275-145(66-78-167(240)306)206(349)280-150(71-83-174(317)318)207(350)270-136(52-37-40-89-234)203(346)292-161(103-168(241)307)219(362)282-147(68-80-171(311)312)197(340)261-117(17)185(328)259-121(21)190(333)287-155(97-108(5)6)215(358)273-140(56-44-93-252-231(246)247)202(345)278-153(74-86-177(323)324)211(354)290-156(98-109(7)8)216(359)271-135(51-36-39-88-233)200(343)274-142(63-75-164(237)303)194(337)256-107-169(308)295-182(228(371)372)114(14)31-4/h32-35,47-50,59-62,105-106,108-126,135-163,179-183,254-255,301-302H,28-31,36-46,51-58,63-104,107,233-236H2,1-27H3,(H2,237,303)(H2,238,304)(H2,239,305)(H2,240,306)(H2,241,307)(H,256,337)(H,257,329)(H,258,327)(H,259,328)(H,260,339)(H,261,340)(H,262,341)(H,263,342)(H,264,338)(H,265,357)(H,266,366)(H,267,330)(H,268,331)(H,269,332)(H,270,350)(H,271,359)(H,272,363)(H,273,358)(H,274,343)(H,275,348)(H,276,351)(H,277,344)(H,278,345)(H,279,347)(H,280,349)(H,281,360)(H,282,362)(H,283,352)(H,284,365)(H,285,367)(H,286,368)(H,287,333)(H,288,334)(H,289,335)(H,290,354)(H,291,353)(H,292,346)(H,293,361)(H,294,369)(H,295,308)(H,296,336)(H,297,355)(H,298,364)(H,299,356)(H,309,310)(H,311,312)(H,313,314)(H,315,316)(H,317,318)(H,319,320)(H,321,322)(H,323,324)(H,325,326)(H,371,372)(H4,242,243,250)(H4,244,245,251)(H4,246,247,252)(H4,248,249,253)/t111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126+,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-,163-,179-,180-,181-,182-,183-/m0/s1

InChIKey

ZMBMFIYFEQPEBO-HMLQEIILSA-N

Compound name

(2S,3S)-2-[[2-[[(2S)-5-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-1-[(2S)-2-aminopropanoyl]pyrrolidine-2-carbonyl]amino]hexanoyl]amino]-4-carboxybutanoyl]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]-4-carboxybutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]propanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-methylpentanoyl]amino]-4-carboxybutanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]propanoyl]amino]propanoyl]amino]-5-oxopentanoyl]amino]-4-carboxybutanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]-4-carboxybutanoyl]amino]hexanoyl]amino]-4-oxobutanoyl]amino]-4-carboxybutanoyl]amino]propanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]-5-oxopentanoyl]amino]acetyl]amino]-3-methylpentanoic acid

Related CIDs

• CID 16134138