2-[[1-[6-azanyl-2-[(2-azanyl-3-phenyl-propanoyl)amino]hexanoyl]pyrrolidin-2-yl]carbonylamino]propanoic acid

Systemtic Name: 2-[[1-[6-azanyl-2-[(2-azanyl-3-phenyl-propanoyl)amino]hexanoyl]pyrrolidin-2-yl]carbonylamino]propanoic acid Openeye Name: 2-[[1-[6-amino-2-[(2-amino-3-phenyl-propanoyl)amino]hexanoyl]pyrrolidine-2-carbonyl]amino]propanoic acid CAS Name: 2-[[[1-[6-amino-2-[(2-amino-1-oxo-3-phenylpropyl)amino]-1-oxohexyl]-2-pyrrolidinyl]-oxomethyl]amino]propanoic acid IUPAC Name: 2-[[1-[6-amino-2-[(2-amino-3-phenylpropanoyl)amino]hexanoyl]pyrrolidine-2-carbonyl]amino]propanoic acid Traditional Name: 2-[[1-[6-amino-2-(phenylalanylamino)hexanoyl]prolyl]amino]propionic acid Formula: C23H35N5O5 MolecularWeight: 461.5545

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC(=O)C1CCCN1C(=O)C(CCCCN)NC(=O)C(CC2=CC=CC=C2)N

Isomeric SMILES

CC(C(=O)O)NC(=O)C1CCCN1C(=O)C(CCCCN)NC(=O)C(CC2=CC=CC=C2)N

InChI

InChI=1S/C23H35N5O5/c1-15(23(32)33)26-21(30)19-11-7-13-28(19)22(31)18(10-5-6-12-24)27-20(29)17(25)14-16-8-3-2-4-9-16/h2-4,8-9,15,17-19H,5-7,10-14,24-25H2,1H3,(H,26,30)(H,27,29)(H,32,33)