1-ethoxycarbonyloxyethyl 3-[[(2S)-2-[[(2R)-2-[[(2S)-3-(4-acetyloxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-4-methylsulfinyl-butanoyl]amino]-3-phenyl-propanoyl]-methyl-amino]propanoate

Systemtic Name: 1-ethoxycarbonyloxyethyl 3-[[(2S)-2-[[(2R)-2-[[(2S)-3-(4-acetyloxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-4-methylsulfinyl-butanoyl]amino]-3-phenyl-propanoyl]-methyl-amino]propanoate Openeye Name: 1-ethoxycarbonyloxyethyl 3-[[(2S)-2-[[(2R)-2-[[(2S)-3-(4-acetoxyphenyl)-2-(tert-butoxycarbonylamino)propanoyl]amino]-4-methylsulfinyl-butanoyl]amino]-3-phenyl-propanoyl]-methyl-amino]propanoate CAS Name: 3-[[(2S)-2-[[(2R)-2-[[(2S)-3-(4-acetyloxyphenyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopropyl]amino]-4-methylsulfinyl-1-oxobutyl]amino]-1-oxo-3-phenylpropyl]-methylamino]propanoic acid 1-ethoxycarbonyloxyethyl ester IUPAC Name: 1-ethoxycarbonyloxyethyl 3-[[(2S)-2-[[(2R)-2-[[(2S)-3-(4-acetyloxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-4-methylsulfinylbutanoyl]amino]-3-phenylpropanoyl]-methylamino]propanoate Traditional Name: 3-[[(2S)-2-[[(2R)-2-[[(2S)-3-(4-acetoxyphenyl)-2-(tert-butoxycarbonylamino)propanoyl]amino]-4-methylsulfinyl-butanoyl]amino]-3-phenyl-propanoyl]-methyl-amino]propionic acid 1-carbethoxyoxyethyl ester Formula: C39H54N4O13S MolecularWeight: 818.93006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C39H54N4O13S/c1-9-52-38(50)55-26(3)54-33(45)19-21-43(7)36(48)32(24-27-13-11-10-12-14-27)41-34(46)30(20-22-57(8)51)40-35(47)31(42-37(49)56-39(4,5)6)23-28-15-17-29(18-16-28)53-25(2)44/h10-18,26,30-32H,9,19-24H2,1-8H3,(H,40,47)(H,41,46)(H,42,49)/t26?,30-,31+,32+,57?/m1/s1