5-azanyl-2-[2-[[2-[(2-azanyl-3-phenyl-propanoyl)amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]propanoylamino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-azanyl-2-[2-[[2-[(2-azanyl-3-phenyl-propanoyl)amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]propanoylamino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-amino-2-[2-[[2-[(2-amino-3-phenyl-propanoyl)amino]-4-hydroxy-4-oxo-butanoyl]amino]propanoylamino]-5-oxo-pentanoic acid CAS Name: 5-amino-2-[[2-[[2-[(2-amino-1-oxo-3-phenylpropyl)amino]-4-hydroxy-1,4-dioxobutyl]amino]-1-oxopropyl]amino]-5-oxopentanoic acid IUPAC Name: 5-amino-2-[2-[[2-[(2-amino-3-phenylpropanoyl)amino]-4-hydroxy-4-oxobutanoyl]amino]propanoylamino]-5-oxopentanoic acid Traditional Name: 5-amino-2-[2-[[4-hydroxy-4-keto-2-(phenylalanylamino)butanoyl]amino]propanoylamino]-5-keto-valeric acid Formula: C21H29N5O8 MolecularWeight: 479.48366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N5O8/c1-11(18(30)25-14(21(33)34)7-8-16(23)27)24-20(32)15(10-17(28)29)26-19(31)13(22)9-12-5-3-2-4-6-12/h2-6,11,13-15H,7-10,22H2,1H3,(H2,23,27)(H,24,32)(H,25,30)(H,26,31)(H,28,29)(H,33,34)