2-(2-azanylpropanoylamino)-6-[[4-(2-azanylpropanoylamino)-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]heptanedioic acid

Systemtic Name: 2-(2-azanylpropanoylamino)-6-[[4-(2-azanylpropanoylamino)-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]heptanedioic acid Openeye Name: 2-(2-aminopropanoylamino)-6-[[4-(2-aminopropanoylamino)-5-hydroxy-5-oxo-pentanoyl]amino]heptanedioic acid CAS Name: 2-[(2-amino-1-oxopropyl)amino]-6-[[4-[(2-amino-1-oxopropyl)amino]-5-hydroxy-1,5-dioxopentyl]amino]heptanedioic acid IUPAC Name: 2-(2-aminopropanoylamino)-6-[[4-(2-aminopropanoylamino)-5-hydroxy-5-oxopentanoyl]amino]heptanedioic acid Traditional Name: 2-(alanylamino)-6-[[4-(alanylamino)-5-hydroxy-5-keto-pentanoyl]amino]pimelic acid Formula: C18H31N5O9 MolecularWeight: 461.46684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H31N5O9/c1-8(19)14(25)22-11(17(29)30)5-3-4-10(16(27)28)21-13(24)7-6-12(18(31)32)23-15(26)9(2)20/h8-12H,3-7,19-20H2,1-2H3,(H,21,24)(H,22,25)(H,23,26)(H,27,28)(H,29,30)(H,31,32)