4-[2-(2-azanylpropanoylamino)propanoylamino]-5-oxidanylidene-5-[(1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl)amino]pentanoic acid

Systemtic Name: 4-[2-(2-azanylpropanoylamino)propanoylamino]-5-oxidanylidene-5-[(1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl)amino]pentanoic acid Openeye Name: 4-[2-(2-aminopropanoylamino)propanoylamino]-5-[(1-benzyl-2-hydroxy-2-oxo-ethyl)amino]-5-oxo-pentanoic acid CAS Name: 4-[[2-[(2-amino-1-oxopropyl)amino]-1-oxopropyl]amino]-5-[(1-hydroxy-1-oxo-3-phenylpropan-2-yl)amino]-5-oxopentanoic acid IUPAC Name: 4-[2-(2-aminopropanoylamino)propanoylamino]-5-[(1-hydroxy-1-oxo-3-phenylpropan-2-yl)amino]-5-oxopentanoic acid Traditional Name: 4-[2-(alanylamino)propanoylamino]-5-[(1-benzyl-2-hydroxy-2-keto-ethyl)amino]-5-keto-valeric acid Formula: C20H28N4O7 MolecularWeight: 436.45892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N4O7/c1-11(21)17(27)22-12(2)18(28)23-14(8-9-16(25)26)19(29)24-15(20(30)31)10-13-6-4-3-5-7-13/h3-7,11-12,14-15H,8-10,21H2,1-2H3,(H,22,27)(H,23,28)(H,24,29)(H,25,26)(H,30,31)