(E,2S)-5-azanyl-2-methyl-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanoylamino]pent-3-enoic acid

Systemtic Name: (E,2S)-5-azanyl-2-methyl-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanoylamino]pent-3-enoic acid Openeye Name: (E,2S)-5-amino-2-[[2-(tert-butoxycarbonylamino)acetyl]amino]-2-methyl-pent-3-enoic acid CAS Name: (E,2S)-5-amino-2-methyl-2-[[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxoethyl]amino]-3-pentenoic acid IUPAC Name: (E,2S)-5-amino-2-methyl-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]pent-3-enoic acid Traditional Name: (E,2S)-5-amino-2-[[2-(tert-butoxycarbonylamino)acetyl]amino]-2-methyl-pent-3-enoic acid Formula: C13H23N3O5 MolecularWeight: 301.33882

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC(=O)NC(C)(C=CCN)C(=O)O

Isomeric SMILES

C[C@](/C=C/CN)(C(=O)O)NC(=O)CNC(=O)OC(C)(C)C

InChI

InChI=1S/C13H23N3O5/c1-12(2,3)21-11(20)15-8-9(17)16-13(4,10(18)19)6-5-7-14/h5-6H,7-8,14H2,1-4H3,(H,15,20)(H,16,17)(H,18,19)/b6-5+/t13-/m0/s1