(phenylmethyl) 2-(phenylmethoxycarbonylamino)-6-(prop-2-ynylcarbamoylamino)hexanoate

Systemtic Name: (phenylmethyl) 2-(phenylmethoxycarbonylamino)-6-(prop-2-ynylcarbamoylamino)hexanoate Openeye Name: benzyl 2-(benzyloxycarbonylamino)-6-(prop-2-ynylcarbamoylamino)hexanoate CAS Name: 6-[[oxo-(prop-2-ynylamino)methyl]amino]-2-(phenylmethoxycarbonylamino)hexanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(phenylmethoxycarbonylamino)-6-(prop-2-ynylcarbamoylamino)hexanoate Traditional Name: 2-(benzyloxycarbonylamino)-6-(propargylcarbamoylamino)hexanoic acid benzyl ester Formula: C25H29N3O5 MolecularWeight: 451.51486

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC(=O)NCCCCC(C(=O)OCC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

C#CCNC(=O)NCCCCC(C(=O)OCC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C25H29N3O5/c1-2-16-26-24(30)27-17-10-9-15-22(23(29)32-18-20-11-5-3-6-12-20)28-25(31)33-19-21-13-7-4-8-14-21/h1,3-8,11-14,22H,9-10,15-19H2,(H,28,31)(H2,26,27,30)