cephamyci n b
AlkaPlorer ID: AK035918
Synonym: 'Cephamycin B sodium salt'
IUPAC Name: (6R,7S)-7-[[(5S)-5-amino-5-carboxypentanoyl]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
Structure
SMILES: CO/C(=C\C1=CC=C(O)C=C1)C(=O)OCC1=C(C(=O)O)N2C(=O)[C@](N=C(O)CCC[C@H](N)C(=O)O)(OC)[C@H]2SC1
InChI: InChI=1S/C25H29N3O11S/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-/m0/s1
InChIKey: BVOBPJWSXSKGOO-MZNSCNEHSA-N
Source
Properties Information
Molecule Weight: 579.5840000000003
TPSA?: 218.51
MolLogP?: 1.0579000000000012
Number of H-Donors: 5
Number of H-Acceptors: 11
RingCount: 3
Activities Information
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