tert-butyl N-[(2S)-1-[(2S)-2-aminocarbonylpyrrolidin-1-yl]-1-oxidanylidene-propan-2-yl]carbamate; phenethylcarbamic acid

Systemtic Name: tert-butyl N-[(2S)-1-[(2S)-2-aminocarbonylpyrrolidin-1-yl]-1-oxidanylidene-propan-2-yl]carbamate; phenethylcarbamic acid Openeye Name: tert-butyl N-[(1S)-2-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-methyl-2-oxo-ethyl]carbamate; phenethylcarbamic acid CAS Name: N-[(2S)-1-[(2S)-2-carbamoyl-1-pyrrolidinyl]-1-oxopropan-2-yl]carbamic acid tert-butyl ester; phenethylcarbamic acid IUPAC Name: tert-butyl N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxopropan-2-yl]carbamate; phenethylcarbamic acid Traditional Name: N-[(1S)-2-[(2S)-2-carbamoylpyrrolidino]-2-keto-1-methyl-ethyl]carbamic acid tert-butyl ester; phenethylcarbamic acid Formula: C22H34N4O6 MolecularWeight: 450.52856

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC1C(=O)N)NC(=O)OC(C)(C)C.C1=CC=C(C=C1)CCNC(=O)O

Isomeric SMILES

C[C@@H](C(=O)N1CCC[C@H]1C(=O)N)NC(=O)OC(C)(C)C.C1=CC=C(C=C1)CCNC(=O)O

InChI

InChI=1S/C13H23N3O4.C9H11NO2/c1-8(15-12(19)20-13(2,3)4)11(18)16-7-5-6-9(16)10(14)17;11-9(12)10-7-6-8-4-2-1-3-5-8/h8-9H,5-7H2,1-4H3,(H2,14,17)(H,15,19);1-5,10H,6-7H2,(H,11,12)/t8-,9-;/m0./s1