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-glu-trp-phe-cooh

Structural Information

Molecular Formula

C₂₂₃H₃₃₀N₆₂O₆₇

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](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/C223H330N62O67/c1-23-105(8)175(282-188(320)117(20)253-189(321)136(54-39-85-238-220(230)231)260-212(344)159(98-173(309)310)279-209(341)154(93-122-99-242-131-49-33-29-45-127(122)131)274-187(319)115(18)251-192(324)143(65-76-165(293)294)267-208(340)157(96-125-102-245-134-52-36-32-48-130(125)134)280-218(350)178(119(22)287)285-214(346)174(229)118(21)286)215(347)255-116(19)184(316)258-146(68-79-168(299)300)201(333)275-153(91-121-58-60-126(288)61-59-121)205(337)254-110(13)181(313)246-111(14)182(314)256-139(57-42-88-241-223(236)237)204(336)283-176(106(9)24-2)217(349)271-145(67-78-167(297)298)193(325)252-114(17)186(318)273-152(90-104(6)7)213(345)284-177(107(10)25-3)216(348)270-137(55-40-86-239-221(232)233)190(322)249-108(11)179(311)247-112(15)183(315)257-140(62-73-161(225)289)196(328)265-148(70-81-170(303)304)200(332)263-141(63-74-162(226)290)197(329)262-142(64-75-163(227)291)198(330)266-147(69-80-169(301)302)199(331)259-135(53-37-38-84-224)195(327)278-158(97-164(228)292)211(343)268-144(66-77-166(295)296)191(323)250-109(12)180(312)248-113(16)185(317)272-151(89-103(4)5)206(338)261-138(56-41-87-240-222(234)235)194(326)264-149(71-82-171(305)306)202(334)276-155(94-123-100-243-132-50-34-30-46-128(123)132)207(339)269-150(72-83-172(307)308)203(335)277-156(95-124-101-244-133-51-35-31-47-129(124)133)210(342)281-160(219(351)352)92-120-43-27-26-28-44-120/h26-36,43-52,58-61,99-119,135-160,174-178,242-245,286-288H,23-25,37-42,53-57,62-98,224,229H2,1-22H3,(H2,225,289)(H2,226,290)(H2,227,291)(H2,228,292)(H,246,313)(H,247,311)(H,248,312)(H,249,322)(H,250,323)(H,251,324)(H,252,325)(H,253,321)(H,254,337)(H,255,347)(H,256,314)(H,257,315)(H,258,316)(H,259,331)(H,260,344)(H,261,338)(H,262,329)(H,263,332)(H,264,326)(H,265,328)(H,266,330)(H,267,340)(H,268,343)(H,269,339)(H,270,348)(H,271,349)(H,272,317)(H,273,318)(H,274,319)(H,275,333)(H,276,334)(H,277,335)(H,278,327)(H,279,341)(H,280,350)(H,281,342)(H,282,320)(H,283,336)(H,284,345)(H,285,346)(H,293,294)(H,295,296)(H,297,298)(H,299,300)(H,301,302)(H,303,304)(H,305,306)(H,307,308)(H,309,310)(H,351,352)(H4,230,231,238)(H4,232,233,239)(H4,234,235,240)(H4,236,237,241)/t105-,106-,107-,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-,174-,175-,176-,177-,178-/m0/s1

InChIKey

MUZDDZNECKKXCS-JTYCXCCSSA-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)-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-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 16134145