2-[2-[[2-[(2-azanyl-3-phenyl-propanoyl)amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]ethanoylamino]-3-methyl-pentanoic acid

Systemtic Name: 2-[2-[[2-[(2-azanyl-3-phenyl-propanoyl)amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]ethanoylamino]-3-methyl-pentanoic acid Openeye Name: 2-[[2-[[2-[(2-amino-3-phenyl-propanoyl)amino]-4-hydroxy-4-oxo-butanoyl]amino]acetyl]amino]-3-methyl-pentanoic acid CAS Name: 2-[[2-[[2-[(2-amino-1-oxo-3-phenylpropyl)amino]-4-hydroxy-1,4-dioxobutyl]amino]-1-oxoethyl]amino]-3-methylpentanoic acid IUPAC Name: 2-[[2-[[2-[(2-amino-3-phenylpropanoyl)amino]-4-hydroxy-4-oxobutanoyl]amino]acetyl]amino]-3-methylpentanoic acid Traditional Name: 2-[[2-[[4-hydroxy-4-keto-2-(phenylalanylamino)butanoyl]amino]acetyl]amino]-3-methyl-valeric acid Formula: C21H30N4O7 MolecularWeight: 450.4855

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N4O7/c1-3-12(2)18(21(31)32)25-16(26)11-23-20(30)15(10-17(27)28)24-19(29)14(22)9-13-7-5-4-6-8-13/h4-8,12,14-15,18H,3,9-11,22H2,1-2H3,(H,23,30)(H,24,29)(H,25,26)(H,27,28)(H,31,32)