ethyl 2-[[3-[[3-[[1-ethoxy-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]amino]-3-oxidanylidene-2-(phenylmethoxycarbonylamino)propyl]disulfanyl]-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-(4-hydroxyphenyl)propanoate

Systemtic Name: ethyl 2-[[3-[[3-[[1-ethoxy-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]amino]-3-oxidanylidene-2-(phenylmethoxycarbonylamino)propyl]disulfanyl]-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-(4-hydroxyphenyl)propanoate Openeye Name: ethyl 2-[[2-(benzyloxycarbonylamino)-3-[[2-(benzyloxycarbonylamino)-3-[[2-ethoxy-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]amino]-3-oxo-propyl]disulfanyl]propanoyl]amino]-3-(4-hydroxyphenyl)propanoate CAS Name: 2-[[3-[[3-[[1-ethoxy-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-oxo-2-(phenylmethoxycarbonylamino)propyl]disulfanyl]-1-oxo-2-(phenylmethoxycarbonylamino)propyl]amino]-3-(4-hydroxyphenyl)propanoic acid ethyl ester IUPAC Name: ethyl 2-[[3-[[3-[[1-ethoxy-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-oxo-2-(phenylmethoxycarbonylamino)propyl]disulfanyl]-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-(4-hydroxyphenyl)propanoate Traditional Name: 2-[[2-(benzyloxycarbonylamino)-3-[[2-(benzyloxycarbonylamino)-3-[[2-ethoxy-1-(4-hydroxybenzyl)-2-keto-ethyl]amino]-3-keto-propyl]disulfanyl]propanoyl]amino]-3-(4-hydroxyphenyl)propionic acid ethyl ester Formula: C44H50N4O12S2 MolecularWeight: 891.0174

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=C(C=C1)O)NC(=O)C(CSSCC(C(=O)NC(CC2=CC=C(C=C2)O)C(=O)OCC)NC(=O)OCC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C(CC1=CC=C(C=C1)O)NC(=O)C(CSSCC(C(=O)NC(CC2=CC=C(C=C2)O)C(=O)OCC)NC(=O)OCC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C44H50N4O12S2/c1-3-57-41(53)35(23-29-15-19-33(49)20-16-29)45-39(51)37(47-43(55)59-25-31-11-7-5-8-12-31)27-61-62-28-38(48-44(56)60-26-32-13-9-6-10-14-32)40(52)46-36(42(54)58-4-2)24-30-17-21-34(50)22-18-30/h5-22,35-38,49-50H,3-4,23-28H2,1-2H3,(H,45,51)(H,46,52)(H,47,55)(H,48,56)