ethyl 2-[(1-ethanoylindol-3-yl)methyl-[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]amino]ethanoate

Systemtic Name: ethyl 2-[(1-ethanoylindol-3-yl)methyl-[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]amino]ethanoate Openeye Name: ethyl 2-[(1-acetylindol-3-yl)methyl-[(2S)-2-(benzyloxycarbonylamino)propanoyl]amino]acetate CAS Name: 2-[(1-acetyl-3-indolyl)methyl-[(2S)-1-oxo-2-(phenylmethoxycarbonylamino)propyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[(1-acetylindol-3-yl)methyl-[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]amino]acetate Traditional Name: 2-[(1-acetylindol-3-yl)methyl-[(2S)-2-(benzyloxycarbonylamino)propanoyl]amino]acetic acid ethyl ester Formula: C26H29N3O6 MolecularWeight: 479.52496

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(CC1=CN(C2=CC=CC=C21)C(=O)C)C(=O)C(C)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CN(CC1=CN(C2=CC=CC=C21)C(=O)C)C(=O)[C@H](C)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C26H29N3O6/c1-4-34-24(31)16-28(14-21-15-29(19(3)30)23-13-9-8-12-22(21)23)25(32)18(2)27-26(33)35-17-20-10-6-5-7-11-20/h5-13,15,18H,4,14,16-17H2,1-3H3,(H,27,33)/t18-/m0/s1