5-[[7-azanyl-1,2-bis(oxidanylidene)-1-(phenethylamino)heptan-3-yl]amino]-4-methyl-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[[7-azanyl-1,2-bis(oxidanylidene)-1-(phenethylamino)heptan-3-yl]amino]-4-methyl-5-oxidanylidene-pentanoic acid Openeye Name: 5-[[5-amino-1-[2-oxo-2-(phenethylamino)acetyl]pentyl]amino]-4-methyl-5-oxo-pentanoic acid CAS Name: 5-[[7-amino-1,2-dioxo-1-(phenethylamino)heptan-3-yl]amino]-4-methyl-5-oxopentanoic acid IUPAC Name: 5-[[7-amino-1,2-dioxo-1-(phenethylamino)heptan-3-yl]amino]-4-methyl-5-oxopentanoic acid Traditional Name: 5-[[5-amino-1-[2-keto-2-(phenethylamino)acetyl]pentyl]amino]-5-keto-4-methyl-valeric acid Formula: C21H31N3O5 MolecularWeight: 405.48794

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(=O)O)C(=O)NC(CCCCN)C(=O)C(=O)NCCC1=CC=CC=C1

Isomeric SMILES

CC(CCC(=O)O)C(=O)NC(CCCCN)C(=O)C(=O)NCCC1=CC=CC=C1

InChI

InChI=1S/C21H31N3O5/c1-15(10-11-18(25)26)20(28)24-17(9-5-6-13-22)19(27)21(29)23-14-12-16-7-3-2-4-8-16/h2-4,7-8,15,17H,5-6,9-14,22H2,1H3,(H,23,29)(H,24,28)(H,25,26)