Cgrp

Structural Information

Molecular Formula

C₁₆₃H₂₇₃N₅₁O₄₉S₂

SMILES

CC(C)CC(C(=NC(CC(C)C)C(=NC(CO)C(=NC(CCCNC(=N)N)C(=NC(CO)C(=NCC(=NCC(=NC(C(C)C)C(=NC(C(C)C)C(=NC(CCCCN)C(=NC(CC(=N)O)C(=NC(CC(=N)O)C(=NC(CC1=CC=CC=C1)C(=NC(C(C)C)C(=O)N2CCCC2C(=NC(C(C)O)C(=NC(CC(=N)O)C(=NC(C(C)C)C(=NCC(=NC(CO)C(=NC(CCCCN)C(=NC(C)C(=NC(CC3=CC=CC=C3)C(=N)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)N=C(CN=C(C(C)N=C(C(CC(C)C)N=C(C(CCCNC(=N)N)N=C(C(CC4CNCN4)N=C(C(C(C)O)N=C(C(C(C)C)N=C(C(CS)N=C(C(C(C)O)N=C(C(C)N=C(C(C(C)O)N=C(C(CC(=O)O)N=C(C(CS)N=C(C(C)N)O)O)O)O)O)O)O)O)O)O)O)O)O)O

InChI

InChI=1S/C163H273N51O49S2/c1-73(2)52-97(186-116(226)65-179-131(233)82(18)183-139(241)98(53-74(3)4)193-137(239)94(44-35-49-176-162(171)172)188-142(244)101(57-91-62-175-72-182-91)199-159(261)128(88(24)221)213-156(258)123(79(13)14)207-151(253)110(71-265)204-160(262)126(86(22)219)210-133(235)84(20)185-157(259)125(85(21)218)211-147(249)105(61-119(229)230)198-150(252)109(70-264)203-130(232)81(17)166)140(242)194-99(54-75(5)6)141(243)202-108(69-217)149(251)190-95(45-36-50-177-163(173)174)138(240)201-106(67-215)134(236)180-63-115(225)178-64-118(228)205-121(77(9)10)155(257)208-122(78(11)12)154(256)191-93(43-32-34-48-165)136(238)196-102(58-112(167)222)144(246)197-103(59-113(168)223)143(245)195-100(56-90-40-29-26-30-41-90)145(247)209-124(80(15)16)161(263)214-51-37-46-111(214)152(254)212-127(87(23)220)158(260)200-104(60-114(169)224)146(248)206-120(76(7)8)153(255)181-66-117(227)187-107(68-216)148(250)189-92(42-31-33-47-164)135(237)184-83(19)132(234)192-96(129(170)231)55-89-38-27-25-28-39-89/h25-30,38-41,73-88,91-111,120-128,175,182,215-221,264-265H,31-37,42-72,164-166H2,1-24H3,(H2,167,222)(H2,168,223)(H2,169,224)(H2,170,231)(H,178,225)(H,179,233)(H,180,236)(H,181,255)(H,183,241)(H,184,237)(H,185,259)(H,186,226)(H,187,227)(H,188,244)(H,189,250)(H,190,251)(H,191,256)(H,192,234)(H,193,239)(H,194,242)(H,195,245)(H,196,238)(H,197,246)(H,198,252)(H,199,261)(H,200,260)(H,201,240)(H,202,243)(H,203,232)(H,204,262)(H,205,228)(H,206,248)(H,207,253)(H,208,257)(H,209,247)(H,210,235)(H,211,249)(H,212,254)(H,213,258)(H,229,230)(H4,171,172,176)(H4,173,174,177)

InChIKey

JAPBQZADVRUIIO-UHFFFAOYSA-N

Compound name

4-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[2-[1-[1-[1-[1-[1-[2-[2-[1-[1-[6-amino-1-[1-[1-[1-[1-[2-[N-[1-[1-[1-[2-[1-[6-amino-1-hydroxy-1-[1-hydroxy-1-(1-hydroxy-1-imino-3-phenylpropan-2-yl)iminopropan-2-yl]iminohexan-2-yl]imino-1,3-dihydroxypropan-2-yl]imino-2-hydroxyethyl]imino-1-hydroxy-3-methylbutan-2-yl]imino-1,4-dihydroxy-4-iminobutan-2-yl]imino-1,3-dihydroxybutan-2-yl]-C-hydroxycarbonimidoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]imino-1-hydroxy-3-phenylpropan-2-yl]imino-1,4-dihydroxy-4-iminobutan-2-yl]imino-1,4-dihydroxy-4-iminobutan-2-yl]imino-1-hydroxyhexan-2-yl]imino-1-hydroxy-3-methylbutan-2-yl]imino-1-hydroxy-3-methylbutan-2-yl]imino-2-hydroxyethyl]imino-2-hydroxyethyl]imino-1,3-dihydroxypropan-2-yl]imino-5-carbamimidamido-1-hydroxypentan-2-yl]imino-1,3-dihydroxypropan-2-yl]imino-1-hydroxy-4-methylpentan-2-yl]imino-1-hydroxy-4-methylpentan-2-yl]imino-2-hydroxyethyl]imino-1-hydroxypropan-2-yl]imino-1-hydroxy-4-methylpentan-2-yl]imino-5-carbamimidamido-1-hydroxypentan-2-yl]imino-1-hydroxy-3-imidazolidin-4-ylpropan-2-yl]imino-1,3-dihydroxybutan-2-yl]imino-1-hydroxy-3-methylbutan-2-yl]imino-1-hydroxy-3-sulfanylpropan-2-yl]imino-1,3-dihydroxybutan-2-yl]imino-1-hydroxypropan-2-yl]imino-1,3-dihydroxybutan-2-yl]imino-3-[[2-[(2-amino-1-hydroxypropylidene)amino]-1-hydroxy-3-sulfanylpropylidene]amino]-4-hydroxybutanoic acid

Related CIDs

• CID 44134599
• CID 168324612