2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-oxidanylidene-5-[2-[(5-sulfonaphthalen-1-yl)amino]ethylamino]pentanoic acid

Systemtic Name: 2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-oxidanylidene-5-[2-[(5-sulfonaphthalen-1-yl)amino]ethylamino]pentanoic acid Openeye Name: 2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-oxo-5-[2-[(5-sulfo-1-naphthyl)amino]ethylamino]pentanoic acid CAS Name: 2-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-5-oxo-5-[2-[(5-sulfo-1-naphthalenyl)amino]ethylamino]pentanoic acid IUPAC Name: 2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-oxo-5-[2-[(5-sulfonaphthalen-1-yl)amino]ethylamino]pentanoic acid Traditional Name: 2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-keto-5-[2-[(5-sulfo-1-naphthyl)amino]ethylamino]valeric acid Formula: C32H31N3O8S MolecularWeight: 617.66884

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC(CCC(=O)NCCNC4=CC=CC5=C4C=CC=C5S(=O)(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC(CCC(=O)NCCNC4=CC=CC5=C4C=CC=C5S(=O)(=O)O)C(=O)O

InChI

InChI=1S/C32H31N3O8S/c36-30(34-18-17-33-27-13-5-12-25-24(27)11-6-14-29(25)44(40,41)42)16-15-28(31(37)38)35-32(39)43-19-26-22-9-3-1-7-20(22)21-8-2-4-10-23(21)26/h1-14,26,28,33H,15-19H2,(H,34,36)(H,35,39)(H,37,38)(H,40,41,42)