(2S)-2-azanyl-N-[(2S)-5-[[azanyl-[(4-methoxy-2,3,6-trimethyl-phenyl)sulfonylamino]methylidene]amino]-1-oxidanyl-1-(1,3-thiazol-2-yl)pentan-2-yl]-3-(2-fluorophenyl)propanamide

Systemtic Name: (2S)-2-azanyl-N-[(2S)-5-[[azanyl-[(4-methoxy-2,3,6-trimethyl-phenyl)sulfonylamino]methylidene]amino]-1-oxidanyl-1-(1,3-thiazol-2-yl)pentan-2-yl]-3-(2-fluorophenyl)propanamide Openeye Name: (2S)-2-amino-N-[(1S)-4-[[amino-[(4-methoxy-2,3,6-trimethyl-phenyl)sulfonylamino]methylene]amino]-1-[hydroxy(thiazol-2-yl)methyl]butyl]-3-(2-fluorophenyl)propanamide CAS Name: (2S)-2-amino-N-[(2S)-5-[[amino-[(4-methoxy-2,3,6-trimethylphenyl)sulfonylamino]methylidene]amino]-1-hydroxy-1-(2-thiazolyl)pentan-2-yl]-3-(2-fluorophenyl)propanamide IUPAC Name: (2S)-2-amino-N-[(2S)-5-[[amino-[(4-methoxy-2,3,6-trimethylphenyl)sulfonylamino]methylidene]amino]-1-hydroxy-1-(1,3-thiazol-2-yl)pentan-2-yl]-3-(2-fluorophenyl)propanamide Traditional Name: (2S)-2-amino-N-[(1S)-4-[[amino-[(4-methoxy-2,3,6-trimethyl-phenyl)sulfonylamino]methylene]amino]-1-[hydroxy(thiazol-2-yl)methyl]butyl]-3-(2-fluorophenyl)propionamide Formula: C28H37FN6O5S2 MolecularWeight: 620.758983

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1S(=O)(=O)NC(=NCCCC(C(C2=NC=CS2)O)NC(=O)C(CC3=CC=CC=C3F)N)N)C)C)OC

Isomeric SMILES

CC1=CC(=C(C(=C1S(=O)(=O)NC(=NCCC[C@@H](C(C2=NC=CS2)O)NC(=O)[C@H](CC3=CC=CC=C3F)N)N)C)C)OC

InChI

InChI=1S/C28H37FN6O5S2/c1-16-14-23(40-4)17(2)18(3)25(16)42(38,39)35-28(31)33-11-7-10-22(24(36)27-32-12-13-41-27)34-26(37)21(30)15-19-8-5-6-9-20(19)29/h5-6,8-9,12-14,21-22,24,36H,7,10-11,15,30H2,1-4H3,(H,34,37)(H3,31,33,35)/t21-,22-,24?/m0/s1