(2S)-2-[[(2S)-1-[2-[[(2S)-2-[[2-[[(2S)-1-[2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[2-[[(2S)-2-[[(2S)-2-[(2-acetamido-2-methyl-propanoyl)amino]-4-azanyl-4-oxidanylidene-butanoyl]amino]-4-methyl-pentanoyl]amino]-2-methyl-propanoyl]pyrrolidin-2-yl]carbonylamino]-3-oxidanyl-propanoyl]amino]-3-methyl-butanoyl]amino]-2-methyl-propanoyl]pyrrolidin-2-yl]carbonylamino]-2-methyl-propanoyl]amino]-4-methyl-pentanoyl]amino]-2-methyl-propanoyl]pyrrolidin-2-yl]carbonylamino]-4-methyl-pentanoic acid

Systemtic Name: (2S)-2-[[(2S)-1-[2-[[(2S)-2-[[2-[[(2S)-1-[2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[2-[[(2S)-2-[[(2S)-2-[(2-acetamido-2-methyl-propanoyl)amino]-4-azanyl-4-oxidanylidene-butanoyl]amino]-4-methyl-pentanoyl]amino]-2-methyl-propanoyl]pyrrolidin-2-yl]carbonylamino]-3-oxidanyl-propanoyl]amino]-3-methyl-butanoyl]amino]-2-methyl-propanoyl]pyrrolidin-2-yl]carbonylamino]-2-methyl-propanoyl]amino]-4-methyl-pentanoyl]amino]-2-methyl-propanoyl]pyrrolidin-2-yl]carbonylamino]-4-methyl-pentanoic acid Openeye Name: (2S)-2-[[(2S)-1-[2-[[(2S)-2-[[2-[[(2S)-1-[2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[2-[[(2S)-2-[[(2S)-2-[(2-acetamido-2-methyl-propanoyl)amino]-4-amino-4-oxo-butanoyl]amino]-4-methyl-pentanoyl]amino]-2-methyl-propanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxy-propanoyl]amino]-3-methyl-butanoyl]amino]-2-methyl-propanoyl]pyrrolidine-2-carbonyl]amino]-2-methyl-propanoyl]amino]-4-methyl-pentanoyl]amino]-2-methyl-propanoyl]pyrrolidine-2-carbonyl]amino]-4-methyl-pentanoic acid CAS Name: (2S)-2-[[[(2S)-1-[2-[[(2S)-2-[[2-[[[(2S)-1-[2-[[(2S)-2-[[(2S)-2-[[[(2S)-1-[2-[[(2S)-2-[[(2S)-2-[(2-acetamido-2-methyl-1-oxopropyl)amino]-4-amino-1,4-dioxobutyl]amino]-4-methyl-1-oxopentyl]amino]-2-methyl-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-hydroxy-1-oxopropyl]amino]-3-methyl-1-oxobutyl]amino]-2-methyl-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]-2-methyl-1-oxopropyl]amino]-4-methyl-1-oxopentyl]amino]-2-methyl-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]-4-methylpentanoic acid IUPAC Name: (2S)-2-[[(2S)-1-[2-[[(2S)-2-[[2-[[(2S)-1-[2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[2-[[(2S)-2-[[(2S)-2-[(2-acetamido-2-methylpropanoyl)amino]-4-amino-4-oxobutanoyl]amino]-4-methylpentanoyl]amino]-2-methylpropanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoyl]amino]-3-methylbutanoyl]amino]-2-methylpropanoyl]pyrrolidine-2-carbonyl]amino]-2-methylpropanoyl]amino]-4-methylpentanoyl]amino]-2-methylpropanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoic acid Traditional Name: (2S)-2-[[(2S)-1-[2-[[(2S)-2-[[2-[[(2S)-1-[2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[2-[[(2S)-2-[[(2S)-2-[(2-acetamido-2-methyl-propanoyl)amino]-4-amino-4-keto-butanoyl]amino]-4-methyl-pentanoyl]amino]-2-methyl-propanoyl]prolyl]amino]-3-hydroxy-propanoyl]amino]-3-methyl-butanoyl]amino]-2-methyl-propanoyl]prolyl]amino]-2-methyl-propanoyl]amino]-4-methyl-pentanoyl]amino]-2-methyl-propanoyl]prolyl]amino]-4-methyl-valeric acid Formula: C67H113N15O18 MolecularWeight: 1416.70382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(C)(C)C(=O)N1CCCC1C(=O)NC(CO)C(=O)NC(C(C)C)C(=O)NC(C)(C)C(=O)N2CCCC2C(=O)NC(C)(C)C(=O)NC(CC(C)C)C(=O)NC(C)(C)C(=O)N3CCCC3C(=O)NC(CC(C)C)C(=O)O)NC(=O)C(CC(=O)N)NC(=O)C(C)(C)NC(=O)C

Isomeric SMILES

CC(C)C[C@@H](C(=O)NC(C)(C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](C(C)C)C(=O)NC(C)(C)C(=O)N2CCC[C@H]2C(=O)NC(C)(C)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@H](CC(=O)N)NC(=O)C(C)(C)NC(=O)C

InChI

InChI=1S/C67H113N15O18/c1-34(2)29-39(69-49(86)41(32-47(68)85)73-58(96)63(10,11)75-38(9)84)51(88)76-65(14,15)60(98)81-27-21-24-45(81)54(91)71-43(33-83)50(87)74-48(37(7)8)56(93)79-67(18,19)62(100)82-28-22-25-46(82)55(92)78-64(12,13)59(97)72-40(30-35(3)4)52(89)77-66(16,17)61(99)80-26-20-23-44(80)53(90)70-42(57(94)95)31-36(5)6/h34-37,39-46,48,83H,20-33H2,1-19H3,(H2,68,85)(H,69,86)(H,70,90)(H,71,91)(H,72,97)(H,73,96)(H,74,87)(H,75,84)(H,76,88)(H,77,89)(H,78,92)(H,79,93)(H,94,95)/t39-,40-,41-,42-,43-,44-,45-,46-,48-/m0/s1