(6R,7R)-3-({[(1R)-1-amino-1-carboxy-2-methylpropan-2-yl]sulfanyl}methyl)-7-[(5S)-5-amino-5-carboxypentanamido]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
AlkaPlorer ID: AK119196
Synonym: None
IUPAC Name: (6R,7R)-3-[[(1R)-1-amino-1-carboxy-2-methylpropan-2-yl]sulfanylmethyl]-7-[[(5S)-5-amino-5-carboxypentanoyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Structure
SMILES: CC(C)(SCC1=C(C(=O)O)N2C(=O)[C@@H](N=C(O)CCC[C@H](N)C(=O)O)[C@H]2SC1)[C@H](N)C(=O)O
InChI: InChI=1S/C19H28N4O8S2/c1-19(2,13(21)18(30)31)33-7-8-6-32-15-11(14(25)23(15)12(8)17(28)29)22-10(24)5-3-4-9(20)16(26)27/h9,11,13,15H,3-7,20-21H2,1-2H3,(H,22,24)(H,26,27)(H,28,29)(H,30,31)/t9-,11+,13+,15+/m0/s1
InChIKey: UPIXOIGOUJHLPG-AGNJHWRGSA-N
Source
Properties Information
Molecule Weight: 504.58700000000033
TPSA？: 216.84
MolLogP？: 0.071200000000005
Number of H-Donors: 6
Number of H-Acceptors: 9
RingCount: 2
Activities Information
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