2-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl]ethanoic acid

Systemtic Name: 2-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl]ethanoic acid Openeye Name: 2-[(3S)-3-(tert-butoxycarbonylamino)-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetic acid CAS Name: 2-[(3S)-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetic acid IUPAC Name: 2-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetic acid Traditional Name: 2-[(3S)-3-(tert-butoxycarbonylamino)-4-keto-2,3-dihydro-1,5-benzothiazepin-5-yl]acetic acid Formula: C16H20N2O5S MolecularWeight: 352.4054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1CSC2=CC=CC=C2N(C1=O)CC(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H]1CSC2=CC=CC=C2N(C1=O)CC(=O)O

InChI

InChI=1S/C16H20N2O5S/c1-16(2,3)23-15(22)17-10-9-24-12-7-5-4-6-11(12)18(14(10)21)8-13(19)20/h4-7,10H,8-9H2,1-3H3,(H,17,22)(H,19,20)/t10-/m1/s1