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

Systemtic Name: 4-azanyl-2-[2-[[2-[(2-azanyl-3-phenyl-propanoyl)amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]ethanoylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-amino-2-[[2-[[2-[(2-amino-3-phenyl-propanoyl)amino]-4-hydroxy-4-oxo-butanoyl]amino]acetyl]amino]-4-oxo-butanoic acid CAS Name: 4-amino-2-[[2-[[2-[(2-amino-1-oxo-3-phenylpropyl)amino]-4-hydroxy-1,4-dioxobutyl]amino]-1-oxoethyl]amino]-4-oxobutanoic acid IUPAC Name: 4-amino-2-[[2-[[2-[(2-amino-3-phenylpropanoyl)amino]-4-hydroxy-4-oxobutanoyl]amino]acetyl]amino]-4-oxobutanoic acid Traditional Name: 4-amino-2-[[2-[[4-hydroxy-4-keto-2-(phenylalanylamino)butanoyl]amino]acetyl]amino]-4-keto-butyric acid Formula: C19H25N5O8 MolecularWeight: 451.4305

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N5O8/c20-11(6-10-4-2-1-3-5-10)17(29)24-12(8-16(27)28)18(30)22-9-15(26)23-13(19(31)32)7-14(21)25/h1-5,11-13H,6-9,20H2,(H2,21,25)(H,22,30)(H,23,26)(H,24,29)(H,27,28)(H,31,32)