1-[2-[[2-[(2-acetamido-3-azanyl-propanoyl)amino]-4-oxidanyl-4-oxidanylidene-butyl]amino]-6-azanyl-hexanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[2-[[2-[(2-acetamido-3-azanyl-propanoyl)amino]-4-oxidanyl-4-oxidanylidene-butyl]amino]-6-azanyl-hexanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-[[2-[(2-acetamido-3-amino-propanoyl)amino]-4-hydroxy-4-oxo-butyl]amino]-6-amino-hexanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-[[2-[(2-acetamido-3-amino-1-oxopropyl)amino]-4-hydroxy-4-oxobutyl]amino]-6-amino-1-oxohexyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-[[2-[(2-acetamido-3-aminopropanoyl)amino]-4-hydroxy-4-oxobutyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-[[2-[(2-acetamido-3-amino-propanoyl)amino]-4-hydroxy-4-keto-butyl]amino]-6-amino-hexanoyl]proline Formula: C20H36N6O7 MolecularWeight: 472.53584

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CN)C(=O)NC(CC(=O)O)CNC(CCCCN)C(=O)N1CCCC1C(=O)O

Isomeric SMILES

CC(=O)NC(CN)C(=O)NC(CC(=O)O)CNC(CCCCN)C(=O)N1CCCC1C(=O)O

InChI

InChI=1S/C20H36N6O7/c1-12(27)24-15(10-22)18(30)25-13(9-17(28)29)11-23-14(5-2-3-7-21)19(31)26-8-4-6-16(26)20(32)33/h13-16,23H,2-11,21-22H2,1H3,(H,24,27)(H,25,30)(H,28,29)(H,32,33)