2-[2-[[3-oxidanyl-2-(phenylmethoxycarbonylamino)propanoyl]-prop-2-ynyl-amino]ethanoyl-prop-2-ynyl-amino]ethanoic acid

Systemtic Name: 2-[2-[[3-oxidanyl-2-(phenylmethoxycarbonylamino)propanoyl]-prop-2-ynyl-amino]ethanoyl-prop-2-ynyl-amino]ethanoic acid Openeye Name: 2-[[2-[[2-(benzyloxycarbonylamino)-3-hydroxy-propanoyl]-prop-2-ynyl-amino]acetyl]-prop-2-ynyl-amino]acetic acid CAS Name: 2-[[2-[[3-hydroxy-1-oxo-2-(phenylmethoxycarbonylamino)propyl]-prop-2-ynylamino]-1-oxoethyl]-prop-2-ynylamino]acetic acid IUPAC Name: 2-[[2-[[3-hydroxy-2-(phenylmethoxycarbonylamino)propanoyl]-prop-2-ynylamino]acetyl]-prop-2-ynylamino]acetic acid Traditional Name: 2-[[2-[[2-(benzyloxycarbonylamino)-3-hydroxy-propanoyl]-propargyl-amino]acetyl]-propargyl-amino]acetic acid Formula: C21H23N3O7 MolecularWeight: 429.42322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CCN(CC(=O)O)C(=O)CN(CC#C)C(=O)C(CO)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

C#CCN(CC(=O)O)C(=O)CN(CC#C)C(=O)C(CO)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C21H23N3O7/c1-3-10-23(13-19(27)28)18(26)12-24(11-4-2)20(29)17(14-25)22-21(30)31-15-16-8-6-5-7-9-16/h1-2,5-9,17,25H,10-15H2,(H,22,30)(H,27,28)