2-[2-[(2-azanyl-3-phenylmethoxy-propanoyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoylamino]propanoic acid

Systemtic Name: 2-[2-[(2-azanyl-3-phenylmethoxy-propanoyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoylamino]propanoic acid Openeye Name: 2-[2-[(2-amino-3-benzyloxy-propanoyl)-tert-butoxycarbonyl-amino]propanoylamino]propanoic acid CAS Name: 2-[[2-[(2-amino-1-oxo-3-phenylmethoxypropyl)-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopropyl]amino]propanoic acid IUPAC Name: 2-[2-[(2-amino-3-phenylmethoxypropanoyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoylamino]propanoic acid Traditional Name: 2-[2-[(2-amino-3-benzoxy-propanoyl)-tert-butoxycarbonyl-amino]propanoylamino]propionic acid Formula: C21H31N3O7 MolecularWeight: 437.48674

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC(=O)C(C)N(C(=O)C(COCC1=CC=CC=C1)N)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C(=O)O)NC(=O)C(C)N(C(=O)C(COCC1=CC=CC=C1)N)C(=O)OC(C)(C)C

InChI

InChI=1S/C21H31N3O7/c1-13(19(27)28)23-17(25)14(2)24(20(29)31-21(3,4)5)18(26)16(22)12-30-11-15-9-7-6-8-10-15/h6-10,13-14,16H,11-12,22H2,1-5H3,(H,23,25)(H,27,28)