N-[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]-4-[[(2R)-2-azanyl-3-sulfanyl-propyl]amino]-6-fluoranyl-3,4-dihydro-2H-chromene-8-carboxamide

Systemtic Name: N-[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]-4-[[(2R)-2-azanyl-3-sulfanyl-propyl]amino]-6-fluoranyl-3,4-dihydro-2H-chromene-8-carboxamide Openeye Name: N-[(1S)-2-amino-1-benzyl-2-oxo-ethyl]-4-[[(2R)-2-amino-3-sulfanyl-propyl]amino]-6-fluoro-chromane-8-carboxamide CAS Name: 4-[[(2R)-2-amino-3-mercaptopropyl]amino]-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-6-fluoro-3,4-dihydro-2H-1-benzopyran-8-carboxamide IUPAC Name: N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-4-[[(2R)-2-amino-3-sulfanylpropyl]amino]-6-fluoro-3,4-dihydro-2H-chromene-8-carboxamide Traditional Name: N-[(1S)-2-amino-1-benzyl-2-keto-ethyl]-4-[[(2R)-2-amino-3-mercapto-propyl]amino]-6-fluoro-chroman-8-carboxamide Formula: C22H27FN4O3S MolecularWeight: 446.538183

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C1NCC(CS)N)C=C(C=C2C(=O)NC(CC3=CC=CC=C3)C(=O)N)F

Isomeric SMILES

C1COC2=C(C1NC[C@H](CS)N)C=C(C=C2C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N)F

InChI

InChI=1S/C22H27FN4O3S/c23-14-9-16-18(26-11-15(24)12-31)6-7-30-20(16)17(10-14)22(29)27-19(21(25)28)8-13-4-2-1-3-5-13/h1-5,9-10,15,18-19,26,31H,6-8,11-12,24H2,(H2,25,28)(H,27,29)/t15-,18?,19+/m1/s1