(2S)-6-azanyl-2-[9H-fluoren-9-ylmethoxycarbonyl(naphthalen-1-ylsulfonyl)amino]hexanoic acid

Systemtic Name: (2S)-6-azanyl-2-[9H-fluoren-9-ylmethoxycarbonyl(naphthalen-1-ylsulfonyl)amino]hexanoic acid Openeye Name: (2S)-6-amino-2-[9H-fluoren-9-ylmethoxycarbonyl(1-naphthylsulfonyl)amino]hexanoic acid CAS Name: (2S)-6-amino-2-[[9H-fluoren-9-ylmethoxy(oxo)methyl]-(1-naphthalenylsulfonyl)amino]hexanoic acid IUPAC Name: (2S)-6-amino-2-[9H-fluoren-9-ylmethoxycarbonyl(naphthalen-1-ylsulfonyl)amino]hexanoic acid Traditional Name: (2S)-6-amino-2-[9H-fluoren-9-ylmethoxycarbonyl(1-naphthylsulfonyl)amino]hexanoic acid Formula: C31H30N2O6S MolecularWeight: 558.6447

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2S(=O)(=O)N(C(CCCCN)C(=O)O)C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2S(=O)(=O)N([C@@H](CCCCN)C(=O)O)C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35

InChI

InChI=1S/C31H30N2O6S/c32-19-8-7-17-28(30(34)35)33(40(37,38)29-18-9-11-21-10-1-2-12-22(21)29)31(36)39-20-27-25-15-5-3-13-23(25)24-14-4-6-16-26(24)27/h1-6,9-16,18,27-28H,7-8,17,19-20,32H2,(H,34,35)/t28-/m0/s1