(6R,7S)-7-[[(5R)-5-azanyl-6-oxidanyl-6-oxidanylidene-hexanoyl]amino]-3-[[(Z)-3-(4-hydroxyphenyl)-2-methoxy-prop-2-enoyl]oxymethyl]-7-methoxy-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; sodium

Systemtic Name: (6R,7S)-7-[[(5R)-5-azanyl-6-oxidanyl-6-oxidanylidene-hexanoyl]amino]-3-[[(Z)-3-(4-hydroxyphenyl)-2-methoxy-prop-2-enoyl]oxymethyl]-7-methoxy-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; sodium Openeye Name: (6R,7S)-7-[[(5R)-5-amino-6-hydroxy-6-oxo-hexanoyl]amino]-3-[[(Z)-3-(4-hydroxyphenyl)-2-methoxy-prop-2-enoyl]oxymethyl]-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; sodium CAS Name: (6R,7S)-7-[[(5R)-5-amino-6-hydroxy-1,6-dioxohexyl]amino]-3-[[(Z)-3-(4-hydroxyphenyl)-2-methoxy-1-oxoprop-2-enoxy]methyl]-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; sodium IUPAC Name: (6R,7S)-7-[[(5R)-5-amino-6-hydroxy-6-oxohexanoyl]amino]-3-[[(Z)-3-(4-hydroxyphenyl)-2-methoxyprop-2-enoyl]oxymethyl]-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; sodium Traditional Name: (6R,7S)-7-[[(5R)-5-amino-6-hydroxy-6-keto-hexanoyl]amino]-3-[[(Z)-3-(4-hydroxyphenyl)-2-methoxy-acryloyl]oxymethyl]-8-keto-7-methoxy-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; sodium Formula: C25H29N3NaO11S MolecularWeight: 602.56603

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Descriptors Computed from Structure

Canonical SMILES:

COC(=CC1=CC=C(C=C1)O)C(=O)OCC2=C(N3C(C(C3=O)(NC(=O)CCCC(C(=O)O)N)OC)SC2)C(=O)O.[Na]

Isomeric SMILES

CO/C(=C\C1=CC=C(C=C1)O)/C(=O)OCC2=C(N3[C@@H]([C@@](C3=O)(NC(=O)CCC[C@H](C(=O)O)N)OC)SC2)C(=O)O.[Na]

InChI

InChI=1S/C25H29N3O11S.Na/c1-37-17(10-13-6-8-15(29)9-7-13)22(35)39-11-14-12-40-24-25(38-2,23(36)28(24)19(14)21(33)34)27-18(30)5-3-4-16(26)20(31)32;/h6-10,16,24,29H,3-5,11-12,26H2,1-2H3,(H,27,30)(H,31,32)(H,33,34);/b17-10-;/t16-,24-,25+;/m1./s1