[nh2-ile-leu-pro-trp-lys-trp-pro-trp-trp-pro-trp-pro-pro]2-lys-nh2

Structural Information

Molecular Formula

C₂₀₂H₂₅₃N₄₁O₂₇

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC4=CNC5=CC=CC=C54)C(=O)N6CCC[C@H]6C(=O)N[C@@H](CC7=CNC8=CC=CC=C87)C(=O)N[C@@H](CC9=CNC1=CC=CC=C19)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)NCCCC[C@@H](C(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H]([C@@H](C)CC)N)N

InChI

InChI=1S/C202H253N41O27/c1-9-117(7)174(205)191(259)232-156(93-115(3)4)193(261)234-83-38-71-165(234)185(253)222-152(95-119-105-209-139-57-21-11-47-129(119)139)179(247)220-150(68-31-34-80-203)177(245)226-158(99-123-109-213-143-61-25-15-51-133(123)143)195(263)236-85-40-73-167(236)187(255)224-154(97-121-107-211-141-59-23-13-49-131(121)141)181(249)228-160(101-125-111-215-145-63-27-17-53-135(125)145)197(265)238-87-42-75-169(238)189(257)230-162(103-127-113-217-147-65-29-19-55-137(127)147)199(267)242-91-45-78-172(242)201(269)240-89-37-70-164(240)183(251)208-82-36-33-67-149(176(207)244)219-184(252)171-77-44-90-241(171)202(270)173-79-46-92-243(173)200(268)163(104-128-114-218-148-66-30-20-56-138(128)148)231-190(258)170-76-43-88-239(170)198(266)161(102-126-112-216-146-64-28-18-54-136(126)146)229-182(250)155(98-122-108-212-142-60-24-14-50-132(122)142)225-188(256)168-74-41-86-237(168)196(264)159(100-124-110-214-144-62-26-16-52-134(124)144)227-178(246)151(69-32-35-81-204)221-180(248)153(96-120-106-210-140-58-22-12-48-130(120)140)223-186(254)166-72-39-84-235(166)194(262)157(94-116(5)6)233-192(260)175(206)118(8)10-2/h11-30,47-66,105-118,149-175,209-218H,9-10,31-46,67-104,203-206H2,1-8H3,(H2,207,244)(H,208,251)(H,219,252)(H,220,247)(H,221,248)(H,222,253)(H,223,254)(H,224,255)(H,225,256)(H,226,245)(H,227,246)(H,228,249)(H,229,250)(H,230,257)(H,231,258)(H,232,259)(H,233,260)/t117-,118-,149-,150-,151-,152-,153-,154-,155-,156-,157-,158-,159-,160-,161-,162-,163-,164-,165-,166-,167-,168-,169-,170-,171-,172-,173-,174-,175-/m0/s1

InChIKey

RREYDYGUWXWOGL-LYTFJSOMSA-N

Compound name

(2S)-N-[(5S)-6-amino-5-[[(2S)-1-[(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-6-oxohexyl]-1-[(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide

Related CIDs

• CID 16197758
• CID 16197788