115295-90-4 ((2-Propen-1-yl (4R,5S,6S)-3-[[(3S,5S)-5-[(dimethylamino)carbonyl]-1-[(2-propen-1-yloxy)carbonyl]-3-pyrrolidinyl]thio]-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate)

CAS号:
115295-90-4
英文名称:
2-Propen-1-yl (4R,5S,6S)-3-[[(3S,5S)-5-[(dimethylamino)carbonyl]-1-[(2-propen-1-yloxy)carbonyl]-3-pyrrolidinyl]thio]-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
分子式:
C24H33N3O7S
分子量:
507.599725484848

2-Propen-1-yl (4R,5S,6S)-3-[[(3S,5S)-5-[(dimethylamino)carbonyl]-1-[(2-propen-1-yloxy)carbonyl]-3-pyrrolidinyl]thio]-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate(115295-90-4)名称与标识符

名称

英文别名:
2-Propen-1-yl (4R,5S,6S)-3-[[(3S,5S)-5-[(dimethylamino)carbonyl]-1-[(2-propen-1-yloxy)carbonyl]-3-pyrrolidinyl]thio]-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate;

标识符

InChIKey:
KYXCQQHNOJMEBD-GVLSGGHMSA-N
Inchi:
1S/C24H33N3O7S/c1-7-9-33-23(31)19-20(13(3)18-17(14(4)28)22(30)27(18)19)35-15-11-16(21(29)25(5)6)26(12-15)24(32)34-10-8-2/h7-8,13-18,28H,1-2,9-12H2,3-6H3/t13-,14-,15+,16+,17-,18-/m1/s1
SMILES:
N12[C@@]([H])([C@@H]([C@H](O)C)C1=O)[C@@H](C)C(S[C@H]1C[C@@H](C(N(C)C)=O)N(C(OCC=C)=O)C1)=C2C(OCC=C)=O

2-Propen-1-yl (4R,5S,6S)-3-[[(3S,5S)-5-[(dimethylamino)carbonyl]-1-[(2-propen-1-yloxy)carbonyl]-3-pyrrolidinyl]thio]-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate(115295-90-4)物化性质

实验特性

  • 沸点 : 680.1±55.0 °C(Predicted)
  • 酸度系数(pKa) : 14.36±0.20(Predicted)
  • 密度 : 1.32±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)