sodium; (5R,6R)-3-[2-(azanylmethylideneamino)ethylamino]-6-[(1R)-1-oxidanylethyl]-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid; (Z)-7-[(2R)-2-azanyl-3-oxidanyl-3-oxidanylidene-propyl]sulfanyl-2-[[(1S)-2,2-dimethylcyclopropyl]carbonylamino]hept-2-enoate

Systemtic Name: sodium; (5R,6R)-3-[2-(azanylmethylideneamino)ethylamino]-6-[(1R)-1-oxidanylethyl]-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid; (Z)-7-[(2R)-2-azanyl-3-oxidanyl-3-oxidanylidene-propyl]sulfanyl-2-[[(1S)-2,2-dimethylcyclopropyl]carbonylamino]hept-2-enoate Openeye Name: sodium; (Z)-7-[(2R)-2-amino-3-hydroxy-3-oxo-propyl]sulfanyl-2-[[(1S)-2,2-dimethylcyclopropanecarbonyl]amino]hept-2-enoate; (5R,6R)-3-[2-(aminomethyleneamino)ethylamino]-6-[(1R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: sodium; (Z)-7-[[(2R)-2-amino-3-hydroxy-3-oxopropyl]thio]-2-[[[(1S)-2,2-dimethylcyclopropyl]-oxomethyl]amino]-2-heptenoate; (5R,6R)-3-[2-(aminomethylideneamino)ethylamino]-6-[(1R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: sodium; (Z)-7-[(2R)-2-amino-3-hydroxy-3-oxopropyl]sulfanyl-2-[[(1S)-2,2-dimethylcyclopropanecarbonyl]amino]hept-2-enoate; (5R,6R)-3-[2-(aminomethylideneamino)ethylamino]-6-[(1R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: sodium; (Z)-7-[[(2R)-2-amino-3-hydroxy-3-keto-propyl]thio]-2-[[(1S)-2,2-dimethylcyclopropanecarbonyl]amino]hept-2-enoate; (5R,6R)-3-[2-(aminomethyleneamino)ethylamino]-6-[(1R)-1-hydroxyethyl]-7-keto-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C28H43N6NaO9S MolecularWeight: 662.73059

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1C2CC(=C(N2C1=O)C(=O)O)NCCN=CN)O.CC1(CC1C(=O)NC(=CCCCCSCC(C(=O)O)N)C(=O)[O-])C.[Na+]

Isomeric SMILES

C[C@H]([C@H]1[C@H]2CC(=C(N2C1=O)C(=O)O)NCCN=CN)O.CC1(C[C@@H]1C(=O)N/C(=C\CCCCSC[C@@H](C(=O)O)N)/C(=O)[O-])C.[Na+]

InChI

InChI=1S/C16H26N2O5S.C12H18N4O4.Na/c1-16(2)8-10(16)13(19)18-12(15(22)23)6-4-3-5-7-24-9-11(17)14(20)21;1-6(17)9-8-4-7(15-3-2-14-5-13)10(12(19)20)16(8)11(9)18;/h6,10-11H,3-5,7-9,17H2,1-2H3,(H,18,19)(H,20,21)(H,22,23);5-6,8-9,15,17H,2-4H2,1H3,(H2,13,14)(H,19,20);/q;;+1/p-1/b12-6-;;/t10-,11+;6-,8-,9+;/m11./s1