ethyl 3-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-phenyl-ethyl]carbamothioylamino]propanoate

Systemtic Name: ethyl 3-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-phenyl-ethyl]carbamothioylamino]propanoate Openeye Name: ethyl 3-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-phenyl-ethyl]carbamothioylamino]propanoate CAS Name: 3-[[[[(2S)-2-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-2-phenylethyl]amino]-sulfanylidenemethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-phenylethyl]carbamothioylamino]propanoate Traditional Name: 3-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-phenyl-ethyl]thiocarbamoylamino]propionic acid ethyl ester Formula: C29H31N3O4S MolecularWeight: 517.63914

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCNC(=S)NCC(C1=CC=CC=C1)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

Isomeric SMILES

CCOC(=O)CCNC(=S)NC[C@H](C1=CC=CC=C1)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

InChI

InChI=1S/C29H31N3O4S/c1-2-35-27(33)16-17-30-28(37)31-18-26(20-10-4-3-5-11-20)32-29(34)36-19-25-23-14-8-6-12-21(23)22-13-7-9-15-24(22)25/h3-15,25-26H,2,16-19H2,1H3,(H,32,34)(H2,30,31,37)/t26-/m1/s1