96094-14-3
1-AZABICYCLO[3.2.0]HEPT-2-ENE-2-CARBOXYLIC ACID, 3-[[(3R,5R)-5-[(DIMETHYLAMINO)CARBONYL]-3-PYRROLIDINYL]THIO]-6-[(1R)-1-HYDROXYETHYL]-4-METHYL-7-OXO-, (4S,5S,6S)-
Name1-AZABICYCLO[3.2.0]HEPT-2-ENE-2-CARBOXYLIC ACID, 3-[[(3R,5R)-5-[(DIMETHYLAMINO)CARBONYL]-3-PYRROLIDINYL]THIO]-6-[(1R)-1-HYDROXYETHYL]-4-METHYL-7-OXO-, (4S,5S,6S)-
1Identification
【Name】
1-AZABICYCLO[3.2.0]HEPT-2-ENE-2-CARBOXYLIC ACID, 3-[[(3R,5R)-5-[(DIMETHYLAMINO)CARBONYL]-3-PYRROLIDINYL]THIO]-6-[(1R)-1-HYDROXYETHYL]-4-METHYL-7-OXO-, (4S,5S,6S)-
【CAS】
【MDL】
MFCD15071946
【English Synonyms】
【Formula】
C17 H25 N3 O5 S
【MolWeight】
383.466
【Inchi】
InChI=1S/C17H25N3O5S/c1-7-12-11(8(2)21)16(23)20(12)13(17(24)25)14(7)26-9-5-10(18-6-9)15(22)19(3)4/h7-12,18,21H,5-6H2,1-4H3,(H,24,25)/t7-,8+,9+,10+,11+,12+/m0/s1
【InChIKey】
InChIKey=DMJNNHOOLUXYBV-VQJPJQAJSA-N
【SMILES】
C[C@H]1[C@@H]2[C@H](C(=O)N2C(=C1S[C@@H]3C[C@@H](NC3)C(=O)N(C)C)C(=O)O)[C@@H](C)O
【MOL File】
1-AZABICYCLO[3.2.0]H….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:8
XLogP3:-1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-AZABICYCLO[3.2.0]HEPT-2-ENE-2-CARBOXYLIC ACID, 3-[[(3R,5R)-5-[(DIMETHYLAMINO)CARBONYL]-3-PYRROLIDINYL]THIO]-6-[(1R)-1-HYDROXYETHYL]-4-METHYL-7-OXO-, (4S,5S,6S)-.cml