2-[[2-[[2-[2-[[2-[(2-azanyl-3-sulfanyl-propanoyl)amino]-3-(1H-imidazol-5-yl)propanoyl]amino]propanoylamino]-3-methyl-butanoyl]amino]-3-methyl-butanoyl]amino]-3-sulfanyl-propanoic acid

Systemtic Name: 2-[[2-[[2-[2-[[2-[(2-azanyl-3-sulfanyl-propanoyl)amino]-3-(1H-imidazol-5-yl)propanoyl]amino]propanoylamino]-3-methyl-butanoyl]amino]-3-methyl-butanoyl]amino]-3-sulfanyl-propanoic acid Openeye Name: 2-[[2-[[2-[2-[[2-[(2-amino-3-sulfanyl-propanoyl)amino]-3-(1H-imidazol-5-yl)propanoyl]amino]propanoylamino]-3-methyl-butanoyl]amino]-3-methyl-butanoyl]amino]-3-sulfanyl-propanoic acid CAS Name: 2-[[2-[[2-[[2-[[2-[(2-amino-3-mercapto-1-oxopropyl)amino]-3-(1H-imidazol-5-yl)-1-oxopropyl]amino]-1-oxopropyl]amino]-3-methyl-1-oxobutyl]amino]-3-methyl-1-oxobutyl]amino]-3-mercaptopropanoic acid IUPAC Name: 2-[[2-[[2-[2-[[2-[(2-amino-3-sulfanylpropanoyl)amino]-3-(1H-imidazol-5-yl)propanoyl]amino]propanoylamino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-3-sulfanylpropanoic acid Traditional Name: 2-[[2-[[2-[2-[[2-[(2-amino-3-mercapto-propanoyl)amino]-3-(1H-imidazol-5-yl)propanoyl]amino]propanoylamino]-3-methyl-butanoyl]amino]-3-methyl-butanoyl]amino]-3-mercapto-propionic acid Formula: C25H42N8O7S2 MolecularWeight: 630.78038

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(C(C)C)C(=O)NC(CS)C(=O)O)NC(=O)C(C)NC(=O)C(CC1=CN=CN1)NC(=O)C(CS)N

Isomeric SMILES

CC(C)C(C(=O)NC(C(C)C)C(=O)NC(CS)C(=O)O)NC(=O)C(C)NC(=O)C(CC1=CN=CN1)NC(=O)C(CS)N

InChI

InChI=1S/C25H42N8O7S2/c1-11(2)18(23(37)31-17(9-42)25(39)40)33-24(38)19(12(3)4)32-20(34)13(5)29-22(36)16(6-14-7-27-10-28-14)30-21(35)15(26)8-41/h7,10-13,15-19,41-42H,6,8-9,26H2,1-5H3,(H,27,28)(H,29,36)(H,30,35)(H,31,37)(H,32,34)(H,33,38)(H,39,40)