KT 3777; LY 163892; Lorabid

HCID 3956

Notes Reactions

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Basic information

CAS: 760915-44-4
Standard SMILES: NC(C(=O)NC1C(=O)N2C(C(=O)O)=C(Cl)CCC12)c1ccccc1
InChIKey: JAPHQRWPEGVNBT-UHFFFAOYSA-N
Molecular formula: C16H16ClN3O4
Average molar mass: 349.77 g/mol
Monoisotopic mass: 349.0829337

Names & identifiers

Preferred name: KT 3777; LY 163892; Lorabid
IUPAC: 7-[(2-amino-2-phenylacetyl)amino]-3-chloro-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Names & synonyms

760915-44-4KT 3777; LY 163892; LorabidSCHEMBL1819705DTXSID70860991SR-01000944481SR-01000944481-17-(2-amino-2-phenylacetamido)-3-chloro-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid7-[2-Amino(phenyl)acetamido]-3-chloro-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Database identifiers

CAS: 760915-44-4
PubChem CID: 3956
DTXSID: DTXSID70860991

Properties

Computed structural properties

XLogP: -1.7
Topological polar surface area: 113 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 5
Rotatable bonds: 4
Heavy atoms: 24
Formal charge: 0
Complexity: 600

Experimental & physicochemical properties

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Related reactions

1 records

New reaction record

HRID 2332861As productAs reactantTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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