(2S,5R,6R)-6-[[2-[(4-ethanoyl-1,3,5-trimethyl-pyrrol-2-yl)carbonylamino]-2-(4-hydroxyphenyl)ethanoyl]amino]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Systemtic Name: (2S,5R,6R)-6-[[2-[(4-ethanoyl-1,3,5-trimethyl-pyrrol-2-yl)carbonylamino]-2-(4-hydroxyphenyl)ethanoyl]amino]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: (2S,5R,6R)-6-[[2-[(4-acetyl-1,3,5-trimethyl-pyrrole-2-carbonyl)amino]-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: (2S,5R,6R)-6-[[2-[[(4-acetyl-1,3,5-trimethyl-2-pyrrolyl)-oxomethyl]amino]-2-(4-hydroxyphenyl)-1-oxoethyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate IUPAC Name: (2S,5R,6R)-6-[[2-[(4-acetyl-1,3,5-trimethylpyrrole-2-carbonyl)amino]-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: (2S,5R,6R)-6-[[2-[(4-acetyl-1,3,5-trimethyl-pyrrole-2-carbonyl)amino]-2-(4-hydroxyphenyl)acetyl]amino]-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Formula: C26H29N4O7S- MolecularWeight: 541.59606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C(=O)C)C)C)C(=O)NC(C2=CC=C(C=C2)O)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)[O-]

Isomeric SMILES

CC1=C(N(C(=C1C(=O)C)C)C)C(=O)NC(C2=CC=C(C=C2)O)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)[O-]

InChI

InChI=1S/C26H30N4O7S/c1-11-16(13(3)31)12(2)29(6)19(11)22(34)27-17(14-7-9-15(32)10-8-14)21(33)28-18-23(35)30-20(25(36)37)26(4,5)38-24(18)30/h7-10,17-18,20,24,32H,1-6H3,(H,27,34)(H,28,33)(H,36,37)/p-1/t17?,18-,20+,24-/m1/s1