(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(2-methylpropan-2-yl)oxy]-3-oxidanylidene-propyl]sulfanyl-propanoic acid

Systemtic Name: (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(2-methylpropan-2-yl)oxy]-3-oxidanylidene-propyl]sulfanyl-propanoic acid Openeye Name: (2R)-3-[(2R)-3-tert-butoxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-oxo-propyl]sulfanyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid CAS Name: (2R)-2-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-3-[[(2R)-2-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]thio]propanoic acid IUPAC Name: (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]sulfanylpropanoic acid Traditional Name: (2R)-3-[[(2R)-3-tert-butoxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-keto-propyl]thio]-2-(9H-fluoren-9-ylmethoxycarbonylamino)propionic acid Formula: C40H40N2O8S MolecularWeight: 708.8192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CSCC(C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)NC(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46

Isomeric SMILES

CC(C)(C)OC(=O)[C@H](CSC[C@@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)NC(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46

InChI

InChI=1S/C40H40N2O8S/c1-40(2,3)50-37(45)35(42-39(47)49-21-33-30-18-10-6-14-26(30)27-15-7-11-19-31(27)33)23-51-22-34(36(43)44)41-38(46)48-20-32-28-16-8-4-12-24(28)25-13-5-9-17-29(25)32/h4-19,32-35H,20-23H2,1-3H3,(H,41,46)(H,42,47)(H,43,44)/t34-,35-/m0/s1