(6S,7S)-7-[[(2R)-2-azanyl-2-(4-hydroxyphenyl)ethanoyl]amino]-8-oxidanylidene-3-propyl-4-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: (6S,7S)-7-[[(2R)-2-azanyl-2-(4-hydroxyphenyl)ethanoyl]amino]-8-oxidanylidene-3-propyl-4-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: (6S,7S)-7-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-8-oxo-3-propyl-4-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: (6S,7S)-7-[[(2R)-2-amino-2-(4-hydroxyphenyl)-1-oxoethyl]amino]-8-oxo-3-propyl-4-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: (6S,7S)-7-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-8-oxo-3-propyl-4-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: (6S,7S)-7-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-8-keto-3-propyl-4-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C18H21N3O6 MolecularWeight: 375.37584

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(N2C(CO1)C(C2=O)NC(=O)C(C3=CC=C(C=C3)O)N)C(=O)O

Isomeric SMILES

CCCC1=C(N2[C@H](CO1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=C(C=C3)O)N)C(=O)O

InChI

InChI=1S/C18H21N3O6/c1-2-3-12-15(18(25)26)21-11(8-27-12)14(17(21)24)20-16(23)13(19)9-4-6-10(22)7-5-9/h4-7,11,13-14,22H,2-3,8,19H2,1H3,(H,20,23)(H,25,26)/t11-,13-,14+/m1/s1