methyl 6-azanyl-2-[[2-[(2-azanyl-3-phenyl-propanoyl)amino]-4-methyl-pentanoyl]amino]hexanoate

Systemtic Name: methyl 6-azanyl-2-[[2-[(2-azanyl-3-phenyl-propanoyl)amino]-4-methyl-pentanoyl]amino]hexanoate Openeye Name: methyl 6-amino-2-[[2-[(2-amino-3-phenyl-propanoyl)amino]-4-methyl-pentanoyl]amino]hexanoate CAS Name: 6-amino-2-[[2-[(2-amino-1-oxo-3-phenylpropyl)amino]-4-methyl-1-oxopentyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-amino-2-[[2-[(2-amino-3-phenylpropanoyl)amino]-4-methylpentanoyl]amino]hexanoate Traditional Name: 6-amino-2-[[4-methyl-2-(phenylalanylamino)pentanoyl]amino]hexanoic acid methyl ester Formula: C22H36N4O4 MolecularWeight: 420.54564

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CCCCN)C(=O)OC)NC(=O)C(CC1=CC=CC=C1)N

Isomeric SMILES

CC(C)CC(C(=O)NC(CCCCN)C(=O)OC)NC(=O)C(CC1=CC=CC=C1)N

InChI

InChI=1S/C22H36N4O4/c1-15(2)13-19(21(28)25-18(22(29)30-3)11-7-8-12-23)26-20(27)17(24)14-16-9-5-4-6-10-16/h4-6,9-10,15,17-19H,7-8,11-14,23-24H2,1-3H3,(H,25,28)(H,26,27)