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

Systemtic Name: 2-[2-[2-[(2-azanyl-3-methyl-pentanoyl)amino]propanoylamino]ethanoylamino]-3-phenyl-propanoic acid Openeye Name: 2-[[2-[2-[(2-amino-3-methyl-pentanoyl)amino]propanoylamino]acetyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[2-[[2-[(2-amino-3-methyl-1-oxopentyl)amino]-1-oxopropyl]amino]-1-oxoethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[2-[2-[(2-amino-3-methylpentanoyl)amino]propanoylamino]acetyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[2-[2-[(2-amino-3-methyl-pentanoyl)amino]propanoylamino]acetyl]amino]-3-phenyl-propionic acid Formula: C20H30N4O5 MolecularWeight: 406.476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N4O5/c1-4-12(2)17(21)19(27)23-13(3)18(26)22-11-16(25)24-15(20(28)29)10-14-8-6-5-7-9-14/h5-9,12-13,15,17H,4,10-11,21H2,1-3H3,(H,22,26)(H,23,27)(H,24,25)(H,28,29)