2-[[6-azanyl-2-[[3-methyl-2-(pyrrolidin-2-ylcarbonylamino)butanoyl]amino]hexanoyl]amino]-3-methyl-butanoic acid

Systemtic Name: 2-[[6-azanyl-2-[[3-methyl-2-(pyrrolidin-2-ylcarbonylamino)butanoyl]amino]hexanoyl]amino]-3-methyl-butanoic acid Openeye Name: 2-[[6-amino-2-[[3-methyl-2-(pyrrolidine-2-carbonylamino)butanoyl]amino]hexanoyl]amino]-3-methyl-butanoic acid CAS Name: 2-[[6-amino-2-[[3-methyl-1-oxo-2-[[oxo(2-pyrrolidinyl)methyl]amino]butyl]amino]-1-oxohexyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[[6-amino-2-[[3-methyl-2-(pyrrolidine-2-carbonylamino)butanoyl]amino]hexanoyl]amino]-3-methylbutanoic acid Traditional Name: 2-[[6-amino-2-[[3-methyl-2-(prolylamino)butanoyl]amino]hexanoyl]amino]-3-methyl-butyric acid Formula: C21H39N5O5 MolecularWeight: 441.56486

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CCCCN)C(=O)NC(C(C)C)C(=O)O)NC(=O)C1CCCN1

Isomeric SMILES

CC(C)C(C(=O)NC(CCCCN)C(=O)NC(C(C)C)C(=O)O)NC(=O)C1CCCN1

InChI

InChI=1S/C21H39N5O5/c1-12(2)16(25-18(27)14-9-7-11-23-14)20(29)24-15(8-5-6-10-22)19(28)26-17(13(3)4)21(30)31/h12-17,23H,5-11,22H2,1-4H3,(H,24,29)(H,25,27)(H,26,28)(H,30,31)