benzotriazol-1-yl (2R)-3-(acetamidomethylsulfanyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate

Systemtic Name: benzotriazol-1-yl (2R)-3-(acetamidomethylsulfanyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate Openeye Name: benzotriazol-1-yl (2R)-3-(acetamidomethylsulfanyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate CAS Name: (2R)-3-(acetamidomethylthio)-2-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]propanoic acid 1-benzotriazolyl ester IUPAC Name: benzotriazol-1-yl (2R)-3-(acetamidomethylsulfanyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate Traditional Name: (2R)-3-(acetamidomethylthio)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propionic acid benzotriazol-1-yl ester Formula: C27H25N5O5S MolecularWeight: 531.5829

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCSCC(C(=O)ON1C2=CC=CC=C2N=N1)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35

Isomeric SMILES

CC(=O)NCSC[C@@H](C(=O)ON1C2=CC=CC=C2N=N1)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35

InChI

InChI=1S/C27H25N5O5S/c1-17(33)28-16-38-15-24(26(34)37-32-25-13-7-6-12-23(25)30-31-32)29-27(35)36-14-22-20-10-4-2-8-18(20)19-9-3-5-11-21(19)22/h2-13,22,24H,14-16H2,1H3,(H,28,33)(H,29,35)/t24-/m0/s1