Ac-cgglqltvwgikqlqarilaverylkdqconh2

Structural Information

Molecular Formula

C₁₄₆H₂₄₂N₄₂O₃₉S

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N)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](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N)NC(=O)CNC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)[C@H](C(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)CNC(=O)[C@H](CS)NC(=O)C

InChI

InChI=1S/C146H242N42O39S/c1-23-77(17)117(184-112(198)68-163-123(206)103(63-84-65-160-87-34-26-25-33-86(84)87)183-141(224)116(76(15)16)186-144(227)119(81(21)189)188-139(222)101(61-74(11)12)178-131(214)95(46-51-109(152)195)174-134(217)97(57-70(3)4)167-111(197)67-161-110(196)66-162-124(207)105(69-228)166-82(22)190)142(225)175-90(36-28-30-54-148)126(209)172-94(45-50-108(151)194)130(213)177-99(59-72(7)8)136(219)173-93(44-49-107(150)193)125(208)164-79(19)121(204)169-92(38-32-56-159-146(156)157)132(215)187-118(78(18)24-2)143(226)182-98(58-71(5)6)133(216)165-80(20)122(205)185-115(75(13)14)140(223)176-96(47-52-113(199)200)129(212)170-91(37-31-55-158-145(154)155)128(211)180-102(62-83-39-41-85(191)42-40-83)137(220)179-100(60-73(9)10)135(218)171-89(35-27-29-53-147)127(210)181-104(64-114(201)202)138(221)168-88(120(153)203)43-48-106(149)192/h25-26,33-34,39-42,65,70-81,88-105,115-119,160,189,191,228H,23-24,27-32,35-38,43-64,66-69,147-148H2,1-22H3,(H2,149,192)(H2,150,193)(H2,151,194)(H2,152,195)(H2,153,203)(H,161,196)(H,162,207)(H,163,206)(H,164,208)(H,165,216)(H,166,190)(H,167,197)(H,168,221)(H,169,204)(H,170,212)(H,171,218)(H,172,209)(H,173,219)(H,174,217)(H,175,225)(H,176,223)(H,177,213)(H,178,214)(H,179,220)(H,180,211)(H,181,210)(H,182,226)(H,183,224)(H,184,198)(H,185,205)(H,186,227)(H,187,215)(H,188,222)(H,199,200)(H,201,202)(H4,154,155,158)(H4,156,157,159)/t77-,78-,79-,80-,81+,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,115-,116-,117-,118-,119-/m0/s1

InChIKey

ZKTACGKZYUBCBI-OUFUTWCPSA-N

Compound name

(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2R)-2-acetamido-3-sulfanylpropanoyl]amino]acetyl]amino]acetyl]amino]-4-methylpentanoyl]amino]-5-amino-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylbutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]acetyl]amino]-3-methylpentanoyl]amino]-6-aminohexanoyl]amino]-5-amino-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]-5-amino-5-oxopentanoyl]amino]propanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]-3-methylbutanoyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-3-carboxy-1-[[(2S)-1,5-diamino-1,5-dioxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16197383