(2S,5R,6R)-6-[(2-azanyl-2-phenyl-ethanoyl)amino]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; (2-methoxyphenyl) 2-(diethylamino)ethanoate

Systemtic Name: (2S,5R,6R)-6-[(2-azanyl-2-phenyl-ethanoyl)amino]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; (2-methoxyphenyl) 2-(diethylamino)ethanoate Openeye Name: (2S,5R,6R)-6-[(2-amino-2-phenyl-acetyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; (2-methoxyphenyl) 2-(diethylamino)acetate CAS Name: (2S,5R,6R)-6-[(2-amino-1-oxo-2-phenylethyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; 2-(diethylamino)acetic acid (2-methoxyphenyl) ester IUPAC Name: (2S,5R,6R)-6-[(2-amino-2-phenylacetyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; (2-methoxyphenyl) 2-(diethylamino)acetate Traditional Name: (2S,5R,6R)-6-[(2-amino-2-phenyl-acetyl)amino]-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; 2-(diethylamino)acetic acid (2-methoxyphenyl) ester Formula: C29H38N4O7S MolecularWeight: 586.69962

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC(=O)OC1=CC=CC=C1OC.CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)N)C(=O)O)C

Isomeric SMILES

CCN(CC)CC(=O)OC1=CC=CC=C1OC.CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)C(C3=CC=CC=C3)N)C(=O)O)C

InChI

InChI=1S/C16H19N3O4S.C13H19NO3/c1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8;1-4-14(5-2)10-13(15)17-12-9-7-6-8-11(12)16-3/h3-7,9-11,14H,17H2,1-2H3,(H,18,20)(H,22,23);6-9H,4-5,10H2,1-3H3/t9?,10-,11+,14-;/m1./s1