[3-[(2S)-2-azanyl-3-[(2S)-2-cyanopyrrolidin-1-yl]-3-oxidanylidene-propyl]-1H-indol-5-yl] naphthalene-2-sulfonate

Systemtic Name: [3-[(2S)-2-azanyl-3-[(2S)-2-cyanopyrrolidin-1-yl]-3-oxidanylidene-propyl]-1H-indol-5-yl] naphthalene-2-sulfonate Openeye Name: [3-[(2S)-2-amino-3-[(2S)-2-cyanopyrrolidin-1-yl]-3-oxo-propyl]-1H-indol-5-yl] naphthalene-2-sulfonate CAS Name: 2-naphthalenesulfonic acid [3-[(2S)-2-amino-3-[(2S)-2-cyano-1-pyrrolidinyl]-3-oxopropyl]-1H-indol-5-yl] ester IUPAC Name: [3-[(2S)-2-amino-3-[(2S)-2-cyanopyrrolidin-1-yl]-3-oxopropyl]-1H-indol-5-yl] naphthalene-2-sulfonate Traditional Name: naphthalene-2-sulfonic acid [3-[(2S)-2-amino-3-[(2S)-2-cyanopyrrolidino]-3-keto-propyl]-1H-indol-5-yl] ester Formula: C26H24N4O4S MolecularWeight: 488.55816

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CC2=CNC3=C2C=C(C=C3)OS(=O)(=O)C4=CC5=CC=CC=C5C=C4)N)C#N

Isomeric SMILES

C1C[C@H](N(C1)C(=O)[C@H](CC2=CNC3=C2C=C(C=C3)OS(=O)(=O)C4=CC5=CC=CC=C5C=C4)N)C#N

InChI

InChI=1S/C26H24N4O4S/c27-15-20-6-3-11-30(20)26(31)24(28)13-19-16-29-25-10-8-21(14-23(19)25)34-35(32,33)22-9-7-17-4-1-2-5-18(17)12-22/h1-2,4-5,7-10,12,14,16,20,24,29H,3,6,11,13,28H2/t20-,24-/m0/s1