tert-butyl (3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxidanylidene-5-(pyridin-4-ylmethylsulfanyl)pentanoate

Systemtic Name: tert-butyl (3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxidanylidene-5-(pyridin-4-ylmethylsulfanyl)pentanoate Openeye Name: tert-butyl (3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxo-5-(4-pyridylmethylsulfanyl)pentanoate CAS Name: (3S)-3-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-4-oxo-5-(pyridin-4-ylmethylthio)pentanoic acid tert-butyl ester IUPAC Name: tert-butyl (3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxo-5-(pyridin-4-ylmethylsulfanyl)pentanoate Traditional Name: (3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-keto-5-(4-pyridylmethylthio)valeric acid tert-butyl ester Formula: C30H32N2O5S MolecularWeight: 532.65048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CC(C(=O)CSCC1=CC=NC=C1)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

Isomeric SMILES

CC(C)(C)OC(=O)C[C@@H](C(=O)CSCC1=CC=NC=C1)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

InChI

InChI=1S/C30H32N2O5S/c1-30(2,3)37-28(34)16-26(27(33)19-38-18-20-12-14-31-15-13-20)32-29(35)36-17-25-23-10-6-4-8-21(23)22-9-5-7-11-24(22)25/h4-15,25-26H,16-19H2,1-3H3,(H,32,35)/t26-/m0/s1