3-chloranyl-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoylamino]but-3-enoic acid

Systemtic Name: 3-chloranyl-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoylamino]but-3-enoic acid Openeye Name: 2-[2-(tert-butoxycarbonylamino)pentanoylamino]-3-chloro-but-3-enoic acid CAS Name: 3-chloro-2-[[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopentyl]amino]-3-butenoic acid IUPAC Name: 3-chloro-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoylamino]but-3-enoic acid Traditional Name: 2-[2-(tert-butoxycarbonylamino)pentanoylamino]-3-chloro-but-3-enoic acid Formula: C14H23ClN2O5 MolecularWeight: 334.79582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)NC(C(=C)Cl)C(=O)O)NC(=O)OC(C)(C)C

Isomeric SMILES

CCCC(C(=O)NC(C(=C)Cl)C(=O)O)NC(=O)OC(C)(C)C

InChI

InChI=1S/C14H23ClN2O5/c1-6-7-9(16-13(21)22-14(3,4)5)11(18)17-10(8(2)15)12(19)20/h9-10H,2,6-7H2,1,3-5H3,(H,16,21)(H,17,18)(H,19,20)