(7R)-3-[[(3R,4S)-8-azanyl-4-[[(2S)-2-azanyl-3-oxidanyl-propanoyl]amino]-3-oxidanyl-octanoyl]oxymethyl]-7-[[(5R)-5-azanyl-6-oxidanyl-6-oxidanylidene-hexanoyl]amino]-7-formamido-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: (7R)-3-[[(3R,4S)-8-azanyl-4-[[(2S)-2-azanyl-3-oxidanyl-propanoyl]amino]-3-oxidanyl-octanoyl]oxymethyl]-7-[[(5R)-5-azanyl-6-oxidanyl-6-oxidanylidene-hexanoyl]amino]-7-formamido-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: (7R)-3-[[(3R,4S)-8-amino-4-[[(2S)-2-amino-3-hydroxy-propanoyl]amino]-3-hydroxy-octanoyl]oxymethyl]-7-[[(5R)-5-amino-6-hydroxy-6-oxo-hexanoyl]amino]-7-formamido-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: (7R)-3-[[(3R,4S)-8-amino-4-[[(2S)-2-amino-3-hydroxy-1-oxopropyl]amino]-3-hydroxy-1-oxooctoxy]methyl]-7-[[(5R)-5-amino-6-hydroxy-1,6-dioxohexyl]amino]-7-formamido-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: (7R)-3-[[(3R,4S)-8-amino-4-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-hydroxyoctanoyl]oxymethyl]-7-[[(5R)-5-amino-6-hydroxy-6-oxohexanoyl]amino]-7-formamido-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: (7R)-3-[[(3R,4S)-8-amino-4-[[(2S)-2-amino-3-hydroxy-propanoyl]amino]-3-hydroxy-octanoyl]oxymethyl]-7-[[(5R)-5-amino-6-hydroxy-6-keto-hexanoyl]amino]-7-formamido-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C26H41N7O12S MolecularWeight: 675.70844

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)(NC=O)NC(=O)CCCC(C(=O)O)N)C(=O)O)COC(=O)CC(C(CCCCN)NC(=O)C(CO)N)O

Isomeric SMILES

C1C(=C(N2C(S1)[C@](C2=O)(NC=O)NC(=O)CCC[C@H](C(=O)O)N)C(=O)O)COC(=O)C[C@H]([C@H](CCCCN)NC(=O)[C@H](CO)N)O

InChI

InChI=1S/C26H41N7O12S/c27-7-2-1-5-16(31-21(39)15(29)9-34)17(36)8-19(38)45-10-13-11-46-25-26(30-12-35,24(44)33(25)20(13)23(42)43)32-18(37)6-3-4-14(28)22(40)41/h12,14-17,25,34,36H,1-11,27-29H2,(H,30,35)(H,31,39)(H,32,37)(H,40,41)(H,42,43)/t14-,15+,16+,17-,25?,26-/m1/s1