(6R,7R)-7-(5-carboxy-5-oxopentanamido)-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
AlkaPlorer ID: AK095157
Synonym: None
IUPAC Name: (6R,7R)-7-[(5-carboxy-5-oxopentanoyl)amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Structure
SMILES: CC1=C(C(=O)O)N2C(=O)[C@@H](N=C(O)CCCC(=O)C(=O)O)[C@H]2SC1
InChI: InChI=1S/C14H16N2O7S/c1-6-5-24-12-9(11(19)16(12)10(6)14(22)23)15-8(18)4-2-3-7(17)13(20)21/h9,12H,2-5H2,1H3,(H,15,18)(H,20,21)(H,22,23)/t9-,12-/m1/s1
InChIKey: KSTHTLRRLTVOQR-BXKDBHETSA-N
Source
Properties Information
Molecule Weight: 356.35600000000005
TPSA？: 144.57
MolLogP？: 0.4091999999999999
Number of H-Donors: 3
Number of H-Acceptors: 6
RingCount: 2
Activities Information
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