1-[2-[[6-azanyl-2-[(2-azanyl-3-oxidanyl-propanoyl)amino]hexanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[2-[[6-azanyl-2-[(2-azanyl-3-oxidanyl-propanoyl)amino]hexanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-[[6-amino-2-[(2-amino-3-hydroxy-propanoyl)amino]hexanoyl]amino]-4-hydroxy-4-oxo-butanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-[[6-amino-2-[(2-amino-3-hydroxy-1-oxopropyl)amino]-1-oxohexyl]amino]-4-hydroxy-1,4-dioxobutyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-[[6-amino-2-[(2-amino-3-hydroxypropanoyl)amino]hexanoyl]amino]-4-hydroxy-4-oxobutanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-[[6-amino-2-[(2-amino-3-hydroxy-propanoyl)amino]hexanoyl]amino]-4-hydroxy-4-keto-butanoyl]proline Formula: C18H31N5O8 MolecularWeight: 445.46744

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CC(=O)O)NC(=O)C(CCCCN)NC(=O)C(CO)N)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(=O)C(CC(=O)O)NC(=O)C(CCCCN)NC(=O)C(CO)N)C(=O)O

InChI

InChI=1S/C18H31N5O8/c19-6-2-1-4-11(21-15(27)10(20)9-24)16(28)22-12(8-14(25)26)17(29)23-7-3-5-13(23)18(30)31/h10-13,24H,1-9,19-20H2,(H,21,27)(H,22,28)(H,25,26)(H,30,31)