(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(3-methoxy-9H-xanthen-9-yl)sulfanyl]propanoic acid

Systemtic Name: (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(3-methoxy-9H-xanthen-9-yl)sulfanyl]propanoic acid Openeye Name: (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(3-methoxy-9H-xanthen-9-yl)sulfanyl]propanoic acid CAS Name: (2R)-2-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-3-[(3-methoxy-9H-xanthen-9-yl)thio]propanoic acid IUPAC Name: (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(3-methoxy-9H-xanthen-9-yl)sulfanyl]propanoic acid Traditional Name: (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(3-methoxy-9H-xanthen-9-yl)thio]propionic acid Formula: C32H27NO6S MolecularWeight: 553.62488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(C3=CC=CC=C3O2)SCC(C(=O)O)NC(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46

Isomeric SMILES

COC1=CC2=C(C=C1)C(C3=CC=CC=C3O2)SC[C@@H](C(=O)O)NC(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46

InChI

InChI=1S/C32H27NO6S/c1-37-19-14-15-25-29(16-19)39-28-13-7-6-12-24(28)30(25)40-18-27(31(34)35)33-32(36)38-17-26-22-10-4-2-8-20(22)21-9-3-5-11-23(21)26/h2-16,26-27,30H,17-18H2,1H3,(H,33,36)(H,34,35)/t27-,30?/m0/s1