2-[[4-azanyl-2-[[6-azanyl-2-(2-azanylpropanoylamino)hexanoyl]amino]-4-oxidanylidene-butanoyl]amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[4-azanyl-2-[[6-azanyl-2-(2-azanylpropanoylamino)hexanoyl]amino]-4-oxidanylidene-butanoyl]amino]-3-phenyl-propanoic acid Openeye Name: 2-[[4-amino-2-[[6-amino-2-(2-aminopropanoylamino)hexanoyl]amino]-4-oxo-butanoyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[4-amino-2-[[6-amino-2-[(2-amino-1-oxopropyl)amino]-1-oxohexyl]amino]-1,4-dioxobutyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[4-amino-2-[[6-amino-2-(2-aminopropanoylamino)hexanoyl]amino]-4-oxobutanoyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[2-[[2-(alanylamino)-6-amino-hexanoyl]amino]-4-amino-4-keto-butanoyl]amino]-3-phenyl-propionic acid Formula: C22H34N6O6 MolecularWeight: 478.54196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H34N6O6/c1-13(24)19(30)26-15(9-5-6-10-23)20(31)27-16(12-18(25)29)21(32)28-17(22(33)34)11-14-7-3-2-4-8-14/h2-4,7-8,13,15-17H,5-6,9-12,23-24H2,1H3,(H2,25,29)(H,26,30)(H,27,31)(H,28,32)(H,33,34)