2-[2-[[2-[(2-azanyl-3-phenyl-propanoyl)amino]-4-methyl-pentanoyl]amino]ethanoylamino]propanoic acid

Systemtic Name: 2-[2-[[2-[(2-azanyl-3-phenyl-propanoyl)amino]-4-methyl-pentanoyl]amino]ethanoylamino]propanoic acid Openeye Name: 2-[[2-[[2-[(2-amino-3-phenyl-propanoyl)amino]-4-methyl-pentanoyl]amino]acetyl]amino]propanoic acid CAS Name: 2-[[2-[[2-[(2-amino-1-oxo-3-phenylpropyl)amino]-4-methyl-1-oxopentyl]amino]-1-oxoethyl]amino]propanoic acid IUPAC Name: 2-[[2-[[2-[(2-amino-3-phenylpropanoyl)amino]-4-methylpentanoyl]amino]acetyl]amino]propanoic acid Traditional Name: 2-[[2-[[4-methyl-2-(phenylalanylamino)pentanoyl]amino]acetyl]amino]propionic acid Formula: C20H30N4O5 MolecularWeight: 406.476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC(=O)NC(C)C(=O)O)NC(=O)C(CC1=CC=CC=C1)N

Isomeric SMILES

CC(C)CC(C(=O)NCC(=O)NC(C)C(=O)O)NC(=O)C(CC1=CC=CC=C1)N

InChI

InChI=1S/C20H30N4O5/c1-12(2)9-16(19(27)22-11-17(25)23-13(3)20(28)29)24-18(26)15(21)10-14-7-5-4-6-8-14/h4-8,12-13,15-16H,9-11,21H2,1-3H3,(H,22,27)(H,23,25)(H,24,26)(H,28,29)