9H-fluoren-9-ylmethyl N-[3-methyl-1-oxidanylidene-1-[(2-oxidanyl-1-phenyl-ethyl)amino]butan-2-yl]carbamate hydrate

Systemtic Name: 9H-fluoren-9-ylmethyl N-[3-methyl-1-oxidanylidene-1-[(2-oxidanyl-1-phenyl-ethyl)amino]butan-2-yl]carbamate hydrate Openeye Name: 9H-fluoren-9-ylmethyl N-[1-[(2-hydroxy-1-phenyl-ethyl)carbamoyl]-2-methyl-propyl]carbamate hydrate CAS Name: N-[1-[(2-hydroxy-1-phenylethyl)amino]-3-methyl-1-oxobutan-2-yl]carbamic acid 9H-fluoren-9-ylmethyl ester hydrate IUPAC Name: 9H-fluoren-9-ylmethyl N-[1-[(2-hydroxy-1-phenylethyl)amino]-3-methyl-1-oxobutan-2-yl]carbamate hydrate Traditional Name: N-[1-[(2-hydroxy-1-phenyl-ethyl)carbamoyl]-2-methyl-propyl]carbamic acid 9H-fluoren-9-ylmethyl ester hydrate Formula: C56H62N4O9 MolecularWeight: 935.11288

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CO)C1=CC=CC=C1)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24.CC(C)C(C(=O)NC(CO)C1=CC=CC=C1)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24.O

Isomeric SMILES

CC(C)C(C(=O)NC(CO)C1=CC=CC=C1)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24.CC(C)C(C(=O)NC(CO)C1=CC=CC=C1)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24.O

InChI

InChI=1S/2C28H30N2O4.H2O/c2*1-18(2)26(27(32)29-25(16-31)19-10-4-3-5-11-19)30-28(33)34-17-24-22-14-8-6-12-20(22)21-13-7-9-15-23(21)24;/h2*3-15,18,24-26,31H,16-17H2,1-2H3,(H,29,32)(H,30,33);1H2