Endogenous peptide in human, mouse or rat

Cas#: 925463-91-8        Compound CID:  90488988

Formula:  C₁₇₄H₂₄₁N₄₇O₄₆S₆        Molecular Weight: 3919.5

IUPAC Name: 1-[2-[[4-carboxy-2-[[3-methyl-2-[2-[[13,48,66,92-tetrakis(4-aminobutyl)-74-[[2-[[2-[(2-amino-3-carboxypropanoyl)amino]acetyl]amino]-4-carboxybutanoyl]amino]-83-benzyl-7-(3-carbamimidamidopropyl)-45-(1-hydroxyethyl)-51-(hydroxymethyl)-60-[(4-hydroxyphenyl)methyl]-36,42,86,89-tetrakis(1H-indol-3-ylmethyl)-57-methyl-a,2,5,8,11,14,20,26,35,38,41,44,47,50,53,56,59,62,65,68,75,78,81,84,87,90,93-heptacosaoxo-30,31,71,72,96,97-hexathia-3,6,9,12,15,21,27,34,37,40,43,46,49,52,55,58,61,64,67,76,79,82,85,88,91,94,99-heptacosazapentacyclo[52.40.4.228,69.015,19.021,25]hectane-33-carbonyl]amino]propanoylamino]butanoyl]amino]butanoyl]amino]propanoyl]pyrrolidine-2-carboxylic acid

SMILES: CC1C(=O)NC2CSSCC3C(=O)NCC(=O)NC(C(=O)NCC(=O)NC(C(=O)N4CCCC4C(=O)N5CCCC5C(=O)NC(CSSCC(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC2=O)CO)CCCCN)C(C)O)CC6=CNC7=CC=CC=C76)CC8=CNC9=CC=CC=C98)C(=O)NC(C)C(=O)NC(C(C)C)C(=O)NC(CCC(=O)O)C(=O)NC(C)C(=O)N2CCCC2C(=O)O)C(=O)NC(CSSCC(C(=O)NCC(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N3)CCCCN)CC2=CNC3=CC=CC=C32)CC2=CNC3=CC=CC=C32)CC2=CC=CC=C2)NC(=O)C(CCC(=O)O)NC(=O)CNC(=O)C(CC(=O)O)N)C(=O)NC(C(=O)NCC(=O)NC(C(=O)N1)CC1=CC=C(C=C1)O)CCCCN)CCCCN)CCCNC(=N)N

InChIKey: OKELXNUZHJLTAQ-UHFFFAOYSA-N

InChI: InChI=1S/C174H241N47O46S6/c1-89(2)143(168(261)206-115(53-55-141(234)235)153(246)196-92(5)170(263)221-63-29-47-132(221)173(266)267)217-146(239)91(4)195-163(256)126-85-270-273-88-129-166(259)215-128-87-272-269-83-124(213-155(248)114(52-54-140(232)233)198-135(227)77-188-147(240)105(179)70-142(236)237)151(244)189-75-133(225)187-76-134(226)201-118(64-94-30-8-7-9-31-94)158(251)207-122(69-99-74-186-109-39-17-13-35-104(99)109)161(254)208-121(68-98-73-185-108-38-16-12-34-103(98)108)160(253)204-112(41-19-23-57-176)154(247)212-125(152(245)193-78-136(228)197-110(44-26-60-182-174(180)181)148(241)190-79-137(229)199-116(43-21-25-59-178)171(264)220-62-28-46-131(220)172(265)219-61-27-45-130(219)167(260)216-129)84-268-271-86-127(211-145(238)90(3)194-157(250)117(65-95-48-50-100(224)51-49-95)200-138(230)80-191-149(242)111(203-164(128)257)40-18-22-56-175)165(258)210-123(82-222)162(255)205-113(42-20-24-58-177)156(249)218-144(93(6)223)169(262)209-119(66-96-71-183-106-36-14-10-32-101(96)106)150(243)192-81-139(231)202-120(159(252)214-126)67-97-72-184-107-37-15-11-33-102(97)107/h7-17,30-39,48-51,71-74,89-93,105,110-132,143-144,183-186,222-224H,18-29,40-47,52-70,75-88,175-179H2,1-6H3,(H,187,225)(H,188,240)(H,189,244)(H,190,241)(H,191,242)(H,192,243)(H,193,245)(H,194,250)(H,195,256)(H,196,246)(H,197,228)(H,198,227)(H,199,229)(H,200,230)(H,201,226)(H,202,231)(H,203,257)(H,204,253)(H,205,255)(H,206,261)(H,207,251)(H,208,254)(H,209,262)(H,210,258)(H,211,238)(H,212,247)(H,213,248)(H,214,252)(H,215,259)(H,216,260)(H,217,239)(H,218,249)(H,232,233)(H,234,235)(H,236,237)(H,266,267)(H4,180,181,182)