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4-[[2-[[2-[[2-[[2-[2-[2-[2-(2-azanylpropanoylamino)propanoylamino]ethanoylamino]ethanoylamino]-3-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methyl-pentanoyl]amino]-5-[[1-[[1-[[1-[[1-[[1-(carboxymethylamino)-3-methyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-5-oxidanylidene-pentanoic acid

4-[[2-[[2-[[2-[[2-[2-[2-[2-(2-azanylpropanoylamino)propanoylamino]ethanoylamino]ethanoylamino]-3-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methyl-pentanoyl]amino]-5-[[1-[[1-[[1-[[1-[[1-(carboxymethylamino)-3-methyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name:4-[[2-[[2-[[2-[[2-[2-[2-[2-(2-azanylpropanoylamino)propanoylamino]ethanoylamino]ethanoylamino]-3-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methyl-pentanoyl]amino]-5-[[1-[[1-[[1-[[1-[[1-(carboxymethylamino)-3-methyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-5-oxidanylidene-pentanoic acid
Openeye Name:4-[[2-[[2-[[2-[[2-[[2-[[2-[2-(2-aminopropanoylamino)propanoylamino]acetyl]amino]acetyl]amino]-3-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methyl-pentanoyl]amino]-5-[[1-[[1-[[1-[[2-[[1-(carboxymethylcarbamoyl)-2-methyl-propyl]amino]-1-methyl-2-oxo-ethyl]carbamoyl]-2-methyl-propyl]carbamoyl]-3-methyl-butyl]carbamoyl]-3-methyl-butyl]amino]-5-oxo-pentanoic acid
CAS Name:4-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-amino-1-oxopropyl)amino]-1-oxopropyl]amino]-1-oxoethyl]amino]-1-oxoethyl]amino]-3-methyl-1-oxopentyl]amino]-4-methyl-1-oxopentyl]amino]-3-(1H-imidazol-5-yl)-1-oxopropyl]amino]-4-methyl-1-oxopentyl]amino]-5-[[1-[[1-[[1-[[1-[[1-(carboxymethylamino)-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid
IUPAC Name:4-[[2-[[2-[[2-[[2-[[2-[[2-[2-(2-aminopropanoylamino)propanoylamino]acetyl]amino]acetyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylpentanoyl]amino]-5-[[1-[[1-[[1-[[1-[[1-(carboxymethylamino)-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid
Traditional Name:4-[[2-[[2-[[2-[[2-[[2-[[2-[2-(alanylamino)propanoylamino]acetyl]amino]acetyl]amino]-3-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methyl-pentanoyl]amino]-5-[[1-[[1-[[1-[[2-[[1-(carboxymethylcarbamoyl)-2-methyl-propyl]amino]-2-keto-1-methyl-ethyl]carbamoyl]-2-methyl-propyl]carbamoyl]-3-methyl-butyl]carbamoyl]-3-methyl-butyl]amino]-5-keto-valeric acid
Formula: C66H113N17O18
MolecularWeight: 1432.70652
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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CC(C)C)C(=O)NC(CC1=CN=CN1)C(=O)NC(CC(C)C)C(=O)NC(CCC(=O)O)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(C(C)C)C(=O)NC(C)C(=O)NC(C(C)C)C(=O)NCC(=O)O)NC(=O)CNC(=O)CNC(=O)C(C)NC(=O)C(C)N


Isomeric SMILES

CCC(C)C(C(=O)NC(CC(C)C)C(=O)NC(CC1=CN=CN1)C(=O)NC(CC(C)C)C(=O)NC(CCC(=O)O)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(C(C)C)C(=O)NC(C)C(=O)NC(C(C)C)C(=O)NCC(=O)O)NC(=O)CNC(=O)CNC(=O)C(C)NC(=O)C(C)N


InChI

InChI=1S/C66H113N17O18/c1-18-37(14)54(81-49(85)28-69-48(84)27-70-56(91)39(16)73-55(90)38(15)67)66(101)80-45(23-33(6)7)61(96)79-47(25-41-26-68-30-72-41)62(97)77-43(21-31(2)3)59(94)75-42(19-20-50(86)87)58(93)76-44(22-32(4)5)60(95)78-46(24-34(8)9)63(98)83-53(36(12)13)65(100)74-40(17)57(92)82-52(35(10)11)64(99)71-29-51(88)89/h26,30-40,42-47,52-54H,18-25,27-29,67H2,1-17H3,(H,68,72)(H,69,84)(H,70,91)(H,71,99)(H,73,90)(H,74,100)(H,75,94)(H,76,93)(H,77,97)(H,78,95)(H,79,96)(H,80,101)(H,81,85)(H,82,92)(H,83,98)(H,86,87)(H,88,89)


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