6-azanyl-2-[[1-[2-[(2-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl)amino]propanoyl]pyrrolidin-2-yl]carbonylamino]hexanoic acid

Systemtic Name: 6-azanyl-2-[[1-[2-[(2-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl)amino]propanoyl]pyrrolidin-2-yl]carbonylamino]hexanoic acid Openeye Name: 6-amino-2-[[1-[2-[(2-amino-4-hydroxy-4-oxo-butanoyl)amino]propanoyl]pyrrolidine-2-carbonyl]amino]hexanoic acid CAS Name: 6-amino-2-[[[1-[2-[(2-amino-4-hydroxy-1,4-dioxobutyl)amino]-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]hexanoic acid IUPAC Name: 6-amino-2-[[1-[2-[(2-amino-4-hydroxy-4-oxobutanoyl)amino]propanoyl]pyrrolidine-2-carbonyl]amino]hexanoic acid Traditional Name: 6-amino-2-[[1-[2-[(2-amino-4-hydroxy-4-keto-butanoyl)amino]propanoyl]prolyl]amino]hexanoic acid Formula: C18H31N5O7 MolecularWeight: 429.46804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H31N5O7/c1-10(21-15(26)11(20)9-14(24)25)17(28)23-8-4-6-13(23)16(27)22-12(18(29)30)5-2-3-7-19/h10-13H,2-9,19-20H2,1H3,(H,21,26)(H,22,27)(H,24,25)(H,29,30)