3-[(2-acetamido-3-oxidanyl-propanoyl)amino]-4-[[1-(2-aminocarbonylpyrrolidin-1-yl)-7-azanyl-1-oxidanylidene-heptan-3-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-[(2-acetamido-3-oxidanyl-propanoyl)amino]-4-[[1-(2-aminocarbonylpyrrolidin-1-yl)-7-azanyl-1-oxidanylidene-heptan-3-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 3-[(2-acetamido-3-hydroxy-propanoyl)amino]-4-[[5-amino-1-[2-(2-carbamoylpyrrolidin-1-yl)-2-oxo-ethyl]pentyl]amino]-4-oxo-butanoic acid CAS Name: 3-[(2-acetamido-3-hydroxy-1-oxopropyl)amino]-4-[[7-amino-1-(2-carbamoyl-1-pyrrolidinyl)-1-oxoheptan-3-yl]amino]-4-oxobutanoic acid IUPAC Name: 3-[(2-acetamido-3-hydroxypropanoyl)amino]-4-[[7-amino-1-(2-carbamoylpyrrolidin-1-yl)-1-oxoheptan-3-yl]amino]-4-oxobutanoic acid Traditional Name: 3-[(2-acetamido-3-hydroxy-propanoyl)amino]-4-[[5-amino-1-[2-(2-carbamoylpyrrolidino)-2-keto-ethyl]pentyl]amino]-4-keto-butyric acid Formula: C21H36N6O8 MolecularWeight: 500.54594

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CO)C(=O)NC(CC(=O)O)C(=O)NC(CCCCN)CC(=O)N1CCCC1C(=O)N

Isomeric SMILES

CC(=O)NC(CO)C(=O)NC(CC(=O)O)C(=O)NC(CCCCN)CC(=O)N1CCCC1C(=O)N

InChI

InChI=1S/C21H36N6O8/c1-12(29)24-15(11-28)21(35)26-14(10-18(31)32)20(34)25-13(5-2-3-7-22)9-17(30)27-8-4-6-16(27)19(23)33/h13-16,28H,2-11,22H2,1H3,(H2,23,33)(H,24,29)(H,25,34)(H,26,35)(H,31,32)