(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[2-[[(2S)-2-[[2-[[(2S)-2-[[2-[[2-[[(2S)-2-[[(2S)-2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]propanoyl]amino]-2-methyl-propanoyl]amino]-2-methyl-propanoyl]amino]-4-methyl-pentanoyl]amino]-2-methyl-propanoyl]amino]-5-azanyl-5-oxidanylidene-pentanoyl]amino]-2-methyl-propanoyl]amino]propanoyl]amino]-2-methyl-propanoyl]amino]-5-azanyl-5-oxidanylidene-pentanoyl]amino]-4-methyl-pentanoyl]amino]-2-methyl-propanoyl]amino]-N-[(2S)-4-methyl-1-oxidanyl-pentan-2-yl]pentanedia

Systemtic Name: (2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[2-[[(2S)-2-[[2-[[(2S)-2-[[2-[[2-[[(2S)-2-[[(2S)-2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]propanoyl]amino]-2-methyl-propanoyl]amino]-2-methyl-propanoyl]amino]-4-methyl-pentanoyl]amino]-2-methyl-propanoyl]amino]-5-azanyl-5-oxidanylidene-pentanoyl]amino]-2-methyl-propanoyl]amino]propanoyl]amino]-2-methyl-propanoyl]amino]-5-azanyl-5-oxidanylidene-pentanoyl]amino]-4-methyl-pentanoyl]amino]-2-methyl-propanoyl]amino]-N-[(2S)-4-methyl-1-oxidanyl-pentan-2-yl]pentanedia Openeye Name: (2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[2-[[(2S)-2-[[2-[[(2S)-2-[[2-[[2-[[(2S)-2-[[(2S)-2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]propanoyl]amino]-2-methyl-propanoyl]amino]-2-methyl-propanoyl]amino]-4-methyl-pentanoyl]amino]-2-methyl-propanoyl]amino]-5-amino-5-oxo-pentanoyl]amino]-2-methyl-propanoyl]amino]propanoyl]amino]-2-methyl-propanoyl]amino]-5-amino-5-oxo-pentanoyl]amino]-4-methyl-pentanoyl]amino]-2-methyl-propanoyl]amino]-N-[(1S)-1-(hydroxymethyl)-3-methyl-butyl]pentanediamide CAS Name: (2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[2-[[(2S)-2-[[2-[[(2S)-2-[[2-[[2-[[(2S)-2-[[(2S)-2-acetamido-3-(1H-indol-3-yl)-1-oxopropyl]amino]-1-oxopropyl]amino]-2-methyl-1-oxopropyl]amino]-2-methyl-1-oxopropyl]amino]-4-methyl-1-oxopentyl]amino]-2-methyl-1-oxopropyl]amino]-5-amino-1,5-dioxopentyl]amino]-2-methyl-1-oxopropyl]amino]-1-oxopropyl]amino]-2-methyl-1-oxopropyl]amino]-5-amino-1,5-dioxopentyl]amino]-4-methyl-1-oxopentyl]amino]-2-methyl-1-oxopropyl]amino]-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]pentanedi IUPAC Name: (2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[2-[[(2S)-2-[[2-[[(2S)-2-[[2-[[2-[[(2S)-2-[[(2S)-2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]propanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]-4-methylpentanoyl]amino]-2-methylpropanoyl]amino]-5-amino-5-oxopentanoyl]amino]-2-methylpropanoyl]amino]propanoyl]amino]-2-methylpropanoyl]amino]-5-amino-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]-2-methylpropanoyl]amino]-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]pentanediamide Traditional Name: (2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[2-[[(2S)-2-[[2-[[(2S)-2-[[2-[[2-[[(2S)-2-[[(2S)-2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]propanoyl]amino]-2-methyl-propanoyl]amino]-2-methyl-propanoyl]amino]-4-methyl-pentanoyl]amino]-2-methyl-propanoyl]amino]-5-amino-5-keto-pentanoyl]amino]-2-methyl-propanoyl]amino]propanoyl]amino]-2-methyl-propanoyl]amino]-5-amino-5-keto-pentanoyl]amino]-4-methyl-pentanoyl]amino]-2-methyl-propanoyl]amino]-N-[(1S)-3-methyl-1-methylol-butyl]glutaramide Formula: C76H125N19O19 MolecularWeight: 1608.9216

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CO)NC(=O)C(CCC(=O)N)NC(=O)C(C)(C)NC(=O)C(CC(C)C)NC(=O)C(CCC(=O)N)NC(=O)C(C)(C)NC(=O)C(C)NC(=O)C(C)(C)NC(=O)C(CCC(=O)N)NC(=O)C(C)(C)NC(=O)C(CC(C)C)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)C(C)NC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C

Isomeric SMILES

C[C@@H](C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@@H](CCC(=O)N)C(=O)NC(C)(C)C(=O)N[C@@H](C)C(=O)NC(C)(C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(C)C)CO)NC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)C

InChI

InChI=1S/C76H125N19O19/c1-38(2)32-45(37-96)84-59(103)48(26-29-54(77)98)86-67(111)73(14,15)93-63(107)51(33-39(3)4)85-60(104)49(27-30-55(78)99)87-66(110)72(12,13)90-58(102)42(8)82-65(109)71(10,11)92-62(106)50(28-31-56(79)100)88-68(112)74(16,17)94-64(108)52(34-40(5)6)89-69(113)75(18,19)95-70(114)76(20,21)91-57(101)41(7)81-61(105)53(83-43(9)97)35-44-36-80-47-25-23-22-24-46(44)47/h22-25,36,38-42,45,48-53,80,96H,26-35,37H2,1-21H3,(H2,77,98)(H2,78,99)(H2,79,100)(H,81,105)(H,82,109)(H,83,97)(H,84,103)(H,85,104)(H,86,111)(H,87,110)(H,88,112)(H,89,113)(H,90,102)(H,91,101)(H,92,106)(H,93,107)(H,94,108)(H,95,114)/t41-,42-,45-,48-,49-,50-,51-,52-,53-/m0/s1