ethyl 4-[[(Z)-2-benzamido-3-[[(2S)-1-[[2-[[(2S)-3-(4-hydroxyphenyl)-1-methoxy-1-oxidanylidene-propan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-3-oxidanylidene-prop-1-enyl]amino]-2-methylsulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[[(Z)-2-benzamido-3-[[(2S)-1-[[2-[[(2S)-3-(4-hydroxyphenyl)-1-methoxy-1-oxidanylidene-propan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-3-oxidanylidene-prop-1-enyl]amino]-2-methylsulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[[(Z)-2-benzamido-3-[[(1S)-1-benzyl-2-[[2-[[(1S)-1-[(4-hydroxyphenyl)methyl]-2-methoxy-2-oxo-ethyl]amino]-2-oxo-ethyl]amino]-2-oxo-ethyl]amino]-3-oxo-prop-1-enyl]amino]-2-methylsulfanyl-pyrimidine-5-carboxylate CAS Name: 4-[[(Z)-2-benzamido-3-[[(2S)-1-[[2-[[(2S)-3-(4-hydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-oxoprop-1-enyl]amino]-2-(methylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[(Z)-2-benzamido-3-[[(2S)-1-[[2-[[(2S)-3-(4-hydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-oxoprop-1-enyl]amino]-2-methylsulfanylpyrimidine-5-carboxylate Traditional Name: 4-[[(Z)-2-benzamido-3-[[(1S)-1-benzyl-2-[[2-[[(1S)-1-(4-hydroxybenzyl)-2-keto-2-methoxy-ethyl]amino]-2-keto-ethyl]amino]-2-keto-ethyl]amino]-3-keto-prop-1-enyl]amino]-2-(methylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C39H41N7O9S MolecularWeight: 783.84934

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1NC=C(C(=O)NC(CC2=CC=CC=C2)C(=O)NCC(=O)NC(CC3=CC=C(C=C3)O)C(=O)OC)NC(=O)C4=CC=CC=C4)SC

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N/C=C(/C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)NCC(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)OC)\NC(=O)C4=CC=CC=C4)SC

InChI

InChI=1S/C39H41N7O9S/c1-4-55-37(52)28-21-42-39(56-3)46-33(28)40-22-31(45-34(49)26-13-9-6-10-14-26)36(51)44-29(19-24-11-7-5-8-12-24)35(50)41-23-32(48)43-30(38(53)54-2)20-25-15-17-27(47)18-16-25/h5-18,21-22,29-30,47H,4,19-20,23H2,1-3H3,(H,41,50)(H,43,48)(H,44,51)(H,45,49)(H,40,42,46)/b31-22-/t29-,30-/m0/s1