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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCNC(=S)NCC(CC1=CC=CC=C1)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

Isomeric SMILES

COC(=O)CCNC(=S)NC[C@H](CC1=CC=CC=C1)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

InChI

InChI=1S/C29H31N3O4S/c1-35-27(33)15-16-30-28(37)31-18-21(17-20-9-3-2-4-10-20)32-29(34)36-19-26-24-13-7-5-11-22(24)23-12-6-8-14-25(23)26/h2-14,21,26H,15-19H2,1H3,(H,32,34)(H2,30,31,37)/t21-/m0/s1