(2S)-6-azanyl-2-[9H-fluoren-9-ylmethoxycarbonyl-(4-methoxyphenyl)sulfonyl-amino]hexanoic acid

Systemtic Name: (2S)-6-azanyl-2-[9H-fluoren-9-ylmethoxycarbonyl-(4-methoxyphenyl)sulfonyl-amino]hexanoic acid Openeye Name: (2S)-6-amino-2-[9H-fluoren-9-ylmethoxycarbonyl-(4-methoxyphenyl)sulfonyl-amino]hexanoic acid CAS Name: (2S)-6-amino-2-[[9H-fluoren-9-ylmethoxy(oxo)methyl]-(4-methoxyphenyl)sulfonylamino]hexanoic acid IUPAC Name: (2S)-6-amino-2-[9H-fluoren-9-ylmethoxycarbonyl-(4-methoxyphenyl)sulfonylamino]hexanoic acid Traditional Name: (2S)-6-amino-2-[9H-fluoren-9-ylmethoxycarbonyl-(4-methoxyphenyl)sulfonyl-amino]hexanoic acid Formula: C28H30N2O7S MolecularWeight: 538.612

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N(C(CCCCN)C(=O)O)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N([C@@H](CCCCN)C(=O)O)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

InChI

InChI=1S/C28H30N2O7S/c1-36-19-13-15-20(16-14-19)38(34,35)30(26(27(31)32)12-6-7-17-29)28(33)37-18-25-23-10-4-2-8-21(23)22-9-3-5-11-24(22)25/h2-5,8-11,13-16,25-26H,6-7,12,17-18,29H2,1H3,(H,31,32)/t26-/m0/s1