ethyl (2S)-3-(4-hydroxyphenyl)-2-[[(2S)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoyl]amino]hexanoyl]amino]propanoate

Systemtic Name: ethyl (2S)-3-(4-hydroxyphenyl)-2-[[(2S)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoyl]amino]hexanoyl]amino]propanoate Openeye Name: ethyl (2S)-2-[[(2S)-6-(tert-butoxycarbonylamino)-2-[[(2S)-2-(tert-butoxycarbonylamino)-3-phenyl-propanoyl]amino]hexanoyl]amino]-3-(4-hydroxyphenyl)propanoate CAS Name: (2S)-3-(4-hydroxyphenyl)-2-[[(2S)-6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-[[(2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxo-3-phenylpropyl]amino]-1-oxohexyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl (2S)-3-(4-hydroxyphenyl)-2-[[(2S)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]hexanoyl]amino]propanoate Traditional Name: (2S)-2-[[(2S)-6-(tert-butoxycarbonylamino)-2-[[(2S)-2-(tert-butoxycarbonylamino)-3-phenyl-propanoyl]amino]hexanoyl]amino]-3-(4-hydroxyphenyl)propionic acid ethyl ester Formula: C36H52N4O9 MolecularWeight: 684.81948

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=C(C=C1)O)NC(=O)C(CCCCNC(=O)OC(C)(C)C)NC(=O)C(CC2=CC=CC=C2)NC(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)OC(C)(C)C

InChI

InChI=1S/C36H52N4O9/c1-8-47-32(44)29(23-25-17-19-26(41)20-18-25)39-30(42)27(16-12-13-21-37-33(45)48-35(2,3)4)38-31(43)28(22-24-14-10-9-11-15-24)40-34(46)49-36(5,6)7/h9-11,14-15,17-20,27-29,41H,8,12-13,16,21-23H2,1-7H3,(H,37,45)(H,38,43)(H,39,42)(H,40,46)/t27-,28-,29-/m0/s1