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

Systemtic Name: methyl (2S)-2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethylcarbamothioylamino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethylcarbamothioylamino]-3-phenyl-propanoate CAS Name: (2S)-2-[[[2-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]ethylamino]-sulfanylidenemethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethylcarbamothioylamino]-3-phenylpropanoate Traditional Name: (2S)-2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethylthiocarbamoylamino]-3-phenyl-propionic acid methyl ester Formula: C28H29N3O4S MolecularWeight: 503.61256

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=S)NCCNC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

Isomeric SMILES

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

InChI

InChI=1S/C28H29N3O4S/c1-34-26(32)25(17-19-9-3-2-4-10-19)31-27(36)29-15-16-30-28(33)35-18-24-22-13-7-5-11-20(22)21-12-6-8-14-23(21)24/h2-14,24-25H,15-18H2,1H3,(H,30,33)(H2,29,31,36)/t25-/m0/s1