2-[[5-azanyl-2-[2,6-bis(azanyl)hexanoylamino]-5-oxidanylidene-pentanoyl]amino]-3-methyl-butanoic acid

Systemtic Name: 2-[[5-azanyl-2-[2,6-bis(azanyl)hexanoylamino]-5-oxidanylidene-pentanoyl]amino]-3-methyl-butanoic acid Openeye Name: 2-[[5-amino-2-(2,6-diaminohexanoylamino)-5-oxo-pentanoyl]amino]-3-methyl-butanoic acid CAS Name: 2-[[5-amino-2-[(2,6-diamino-1-oxohexyl)amino]-1,5-dioxopentyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[[5-amino-2-(2,6-diaminohexanoylamino)-5-oxopentanoyl]amino]-3-methylbutanoic acid Traditional Name: 2-[[5-amino-2-(2,6-diaminohexanoylamino)-5-keto-pentanoyl]amino]-3-methyl-butyric acid Formula: C16H31N5O5 MolecularWeight: 373.44784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H31N5O5/c1-9(2)13(16(25)26)21-15(24)11(6-7-12(19)22)20-14(23)10(18)5-3-4-8-17/h9-11,13H,3-8,17-18H2,1-2H3,(H2,19,22)(H,20,23)(H,21,24)(H,25,26)