2-[[6-azanyl-2-[[2-(2-azanylethanoylamino)-3-phenyl-propanoyl]amino]hexanoyl]amino]propanoic acid

Systemtic Name: 2-[[6-azanyl-2-[[2-(2-azanylethanoylamino)-3-phenyl-propanoyl]amino]hexanoyl]amino]propanoic acid Openeye Name: 2-[[6-amino-2-[[2-[(2-aminoacetyl)amino]-3-phenyl-propanoyl]amino]hexanoyl]amino]propanoic acid CAS Name: 2-[[6-amino-2-[[2-[(2-amino-1-oxoethyl)amino]-1-oxo-3-phenylpropyl]amino]-1-oxohexyl]amino]propanoic acid IUPAC Name: 2-[[6-amino-2-[[2-[(2-aminoacetyl)amino]-3-phenylpropanoyl]amino]hexanoyl]amino]propanoic acid Traditional Name: 2-[[6-amino-2-[[2-(glycylamino)-3-phenyl-propanoyl]amino]hexanoyl]amino]propionic acid Formula: C20H31N5O5 MolecularWeight: 421.49064

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC(=O)C(CCCCN)NC(=O)C(CC1=CC=CC=C1)NC(=O)CN

Isomeric SMILES

CC(C(=O)O)NC(=O)C(CCCCN)NC(=O)C(CC1=CC=CC=C1)NC(=O)CN

InChI

InChI=1S/C20H31N5O5/c1-13(20(29)30)23-18(27)15(9-5-6-10-21)25-19(28)16(24-17(26)12-22)11-14-7-3-2-4-8-14/h2-4,7-8,13,15-16H,5-6,9-12,21-22H2,1H3,(H,23,27)(H,24,26)(H,25,28)(H,29,30)