7-[[(2Z)-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]-2-(triphenylmethyl)oxyimino-ethanoyl]amino]-3-[methylsulfanyl-[1-(triphenylmethyl)-1,2,3-triazol-4-yl]methyl]sulfanyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-[[(2Z)-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]-2-(triphenylmethyl)oxyimino-ethanoyl]amino]-3-[methylsulfanyl-[1-(triphenylmethyl)-1,2,3-triazol-4-yl]methyl]sulfanyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[[(2Z)-2-[2-(tert-butoxycarbonylamino)thiazol-4-yl]-2-trityloxyimino-acetyl]amino]-3-[methylsulfanyl-(1-trityltriazol-4-yl)methyl]sulfanyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[[(2Z)-2-[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-thiazolyl]-1-oxo-2-(triphenylmethyl)oxyiminoethyl]amino]-3-[[(methylthio)-[1-(triphenylmethyl)-4-triazolyl]methyl]thio]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[[(2Z)-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]-2-trityloxyiminoacetyl]amino]-3-[methylsulfanyl-(1-trityltriazol-4-yl)methyl]sulfanyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[[(2Z)-2-[2-(tert-butoxycarbonylamino)thiazol-4-yl]-2-trityloximino-acetyl]amino]-8-keto-3-[[(methylthio)-(1-trityltriazol-4-yl)methyl]thio]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C59H52N8O7S4 MolecularWeight: 1113.35358

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=NC(=CS1)C(=NOC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)NC5C6N(C5=O)C(=C(CS6)SC(C7=CN(N=N7)C(C8=CC=CC=C8)(C9=CC=CC=C9)C1=CC=CC=C1)SC)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC1=NC(=CS1)/C(=N/OC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)/C(=O)NC5C6N(C5=O)C(=C(CS6)SC(C7=CN(N=N7)C(C8=CC=CC=C8)(C9=CC=CC=C9)C1=CC=CC=C1)SC)C(=O)O

InChI

InChI=1S/C59H52N8O7S4/c1-57(2,3)73-56(72)62-55-60-45(36-77-55)47(64-74-59(41-29-17-8-18-30-41,42-31-19-9-20-32-42)43-33-21-10-22-34-43)50(68)61-48-51(69)67-49(53(70)71)46(37-76-52(48)67)78-54(75-4)44-35-66(65-63-44)58(38-23-11-5-12-24-38,39-25-13-6-14-26-39)40-27-15-7-16-28-40/h5-36,48,52,54H,37H2,1-4H3,(H,61,68)(H,70,71)(H,60,62,72)/b64-47-