3-(acetyloxymethyl)-4-[(E)-1-azanyl-1-azanylsulfanyl-heptadec-8-en-3-yl]-4-[[(2E)-2-[1,5-bis(oxidanyl)-4-oxidanylidene-pyridin-2-yl]-2-methoxyimino-ethanoyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 3-(acetyloxymethyl)-4-[(E)-1-azanyl-1-azanylsulfanyl-heptadec-8-en-3-yl]-4-[[(2E)-2-[1,5-bis(oxidanyl)-4-oxidanylidene-pyridin-2-yl]-2-methoxyimino-ethanoyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-(acetoxymethyl)-4-[(E)-1-(2-amino-2-aminosulfanyl-ethyl)pentadec-6-enyl]-4-[[(2E)-2-(1,5-dihydroxy-4-oxo-2-pyridyl)-2-methoxyimino-acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-(acetyloxymethyl)-4-[(E)-1-amino-1-(aminothio)heptadec-8-en-3-yl]-4-[[(2E)-2-(1,5-dihydroxy-4-oxo-2-pyridinyl)-2-methoxyimino-1-oxoethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-(acetyloxymethyl)-4-[(E)-1-amino-1-aminosulfanylheptadec-8-en-3-yl]-4-[[(2E)-2-(1,5-dihydroxy-4-oxopyridin-2-yl)-2-methoxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-(acetoxymethyl)-4-[(E)-1-[2-amino-2-(aminothio)ethyl]pentadec-6-enyl]-4-[[(2E)-2-(1,5-dihydroxy-4-keto-2-pyridyl)-2-methyloximino-acetyl]amino]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C35H52N6O10S2 MolecularWeight: 780.95158

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCC(CC(N)SN)C1(C(=C(N2C(S1)CC2=O)C(=O)O)COC(=O)C)NC(=O)C(=NOC)C3=CC(=O)C(=CN3O)O

Isomeric SMILES

CCCCCCCC/C=C/CCCCC(CC(N)SN)C1(C(=C(N2C(S1)CC2=O)C(=O)O)COC(=O)C)NC(=O)/C(=N/OC)/C3=CC(=O)C(=CN3O)O

InChI

InChI=1S/C35H52N6O10S2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-23(17-28(36)53-37)35(38-33(46)31(39-50-3)25-18-26(43)27(44)20-40(25)49)24(21-51-22(2)42)32(34(47)48)41-29(45)19-30(41)52-35/h11-12,18,20,23,28,30,44,49H,4-10,13-17,19,21,36-37H2,1-3H3,(H,38,46)(H,47,48)/b12-11+,39-31+