ethyl 2-[2-[[(2S)-3-(4-hydroxyphenyl)-2-[2-(phenylmethoxycarbonylamino)ethanoylamino]propanoyl]amino]ethanoylamino]ethanoate

Systemtic Name: ethyl 2-[2-[[(2S)-3-(4-hydroxyphenyl)-2-[2-(phenylmethoxycarbonylamino)ethanoylamino]propanoyl]amino]ethanoylamino]ethanoate Openeye Name: ethyl 2-[[2-[[(2S)-2-[[2-(benzyloxycarbonylamino)acetyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetate CAS Name: 2-[[2-[[(2S)-3-(4-hydroxyphenyl)-1-oxo-2-[[1-oxo-2-(phenylmethoxycarbonylamino)ethyl]amino]propyl]amino]-1-oxoethyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[2-[[(2S)-3-(4-hydroxyphenyl)-2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]propanoyl]amino]acetyl]amino]acetate Traditional Name: 2-[[2-[[(2S)-2-[[2-(benzyloxycarbonylamino)acetyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetic acid ethyl ester Formula: C25H30N4O8 MolecularWeight: 514.5277

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(=O)CNC(=O)C(CC1=CC=C(C=C1)O)NC(=O)CNC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)CNC(=O)CNC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)CNC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C25H30N4O8/c1-2-36-23(33)15-26-21(31)13-27-24(34)20(12-17-8-10-19(30)11-9-17)29-22(32)14-28-25(35)37-16-18-6-4-3-5-7-18/h3-11,20,30H,2,12-16H2,1H3,(H,26,31)(H,27,34)(H,28,35)(H,29,32)/t20-/m0/s1