Ac-gikqlqaril averylkdqq llgiwgc-nh2

Structural Information

Molecular Formula

C₁₄₃H₂₃₇N₄₁O₃₇S

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[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)NCC(=O)N[C@@H](CS)C(=O)N)NC(=O)CNC(=O)C

InChI

InChI=1S/C143H237N41O37S/c1-22-76(16)115(181-110(192)66-157-81(21)185)139(219)171-88(36-28-30-54-145)124(204)167-93(45-50-107(148)189)129(209)174-98(59-72(8)9)134(214)169-91(43-48-105(146)187)123(203)161-79(19)119(199)164-90(38-32-56-156-143(153)154)131(211)184-117(78(18)24-3)141(221)179-97(58-71(6)7)132(212)162-80(20)120(200)183-114(75(14)15)138(218)172-95(47-52-112(194)195)128(208)165-89(37-31-55-155-142(151)152)126(206)177-101(62-82-39-41-84(186)42-40-82)136(216)176-99(60-73(10)11)133(213)166-87(35-27-29-53-144)125(205)178-103(64-113(196)197)137(217)170-92(44-49-106(147)188)127(207)168-94(46-51-108(149)190)130(210)175-100(61-74(12)13)135(215)173-96(57-70(4)5)121(201)160-68-111(193)182-116(77(17)23-2)140(220)180-102(63-83-65-158-86-34-26-25-33-85(83)86)122(202)159-67-109(191)163-104(69-222)118(150)198/h25-26,33-34,39-42,65,70-80,87-104,114-117,158,186,222H,22-24,27-32,35-38,43-64,66-69,144-145H2,1-21H3,(H2,146,187)(H2,147,188)(H2,148,189)(H2,149,190)(H2,150,198)(H,157,185)(H,159,202)(H,160,201)(H,161,203)(H,162,212)(H,163,191)(H,164,199)(H,165,208)(H,166,213)(H,167,204)(H,168,207)(H,169,214)(H,170,217)(H,171,219)(H,172,218)(H,173,215)(H,174,209)(H,175,210)(H,176,216)(H,177,206)(H,178,205)(H,179,221)(H,180,220)(H,181,192)(H,182,193)(H,183,200)(H,184,211)(H,194,195)(H,196,197)(H4,151,152,155)(H4,153,154,156)/t76-,77-,78-,79-,80-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,114-,115-,116-,117-/m0/s1

InChIKey

GMMQGIBIUDGBBT-JIINPZBYSA-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-acetamidoacetyl)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)-1-[[(2S)-5-amino-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S,3S)-1-[[(2S)-1-[[2-[[(2R)-1-amino-1-oxo-3-sulfanylpropan-2-yl]amino]-2-oxoethyl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-carboxy-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 16204877