2-[2-[[4-azanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-butanoyl]amino]propanoylamino]-3-phenyl-propanoic acid

Systemtic Name: 2-[2-[[4-azanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-butanoyl]amino]propanoylamino]-3-phenyl-propanoic acid Openeye Name: 2-[2-[[4-amino-2-(tert-butoxycarbonylamino)-4-oxo-butanoyl]amino]propanoylamino]-3-phenyl-propanoic acid CAS Name: 2-[[2-[[4-amino-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1,4-dioxobutyl]amino]-1-oxopropyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[2-[[4-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoyl]amino]propanoylamino]-3-phenylpropanoic acid Traditional Name: 2-[2-[[4-amino-2-(tert-butoxycarbonylamino)-4-keto-butanoyl]amino]propanoylamino]-3-phenyl-propionic acid Formula: C21H30N4O7 MolecularWeight: 450.4855

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N4O7/c1-12(17(27)24-15(19(29)30)10-13-8-6-5-7-9-13)23-18(28)14(11-16(22)26)25-20(31)32-21(2,3)4/h5-9,12,14-15H,10-11H2,1-4H3,(H2,22,26)(H,23,28)(H,24,27)(H,25,31)(H,29,30)