1-[2-[2-[(2-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl)amino]propanoylamino]-3-methyl-pentanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[2-[2-[(2-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl)amino]propanoylamino]-3-methyl-pentanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-[2-[(2-amino-4-hydroxy-4-oxo-butanoyl)amino]propanoylamino]-3-methyl-pentanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-[[2-[(2-amino-4-hydroxy-1,4-dioxobutyl)amino]-1-oxopropyl]amino]-3-methyl-1-oxopentyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-[2-[(2-amino-4-hydroxy-4-oxobutanoyl)amino]propanoylamino]-3-methylpentanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-[2-[(2-amino-4-hydroxy-4-keto-butanoyl)amino]propanoylamino]-3-methyl-pentanoyl]proline Formula: C18H30N4O7 MolecularWeight: 414.4534

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)N1CCCC1C(=O)O)NC(=O)C(C)NC(=O)C(CC(=O)O)N

Isomeric SMILES

CCC(C)C(C(=O)N1CCCC1C(=O)O)NC(=O)C(C)NC(=O)C(CC(=O)O)N

InChI

InChI=1S/C18H30N4O7/c1-4-9(2)14(17(27)22-7-5-6-12(22)18(28)29)21-15(25)10(3)20-16(26)11(19)8-13(23)24/h9-12,14H,4-8,19H2,1-3H3,(H,20,26)(H,21,25)(H,23,24)(H,28,29)